5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole

C76H137N13O5 — CID 162220664

IUPAC5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole
SMILESCC(C)C1=NOC(C)(C)C1.CC(C)C1CC=NO1.CC(C)C1CCCN1C.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CCCn1cc(C(C)C)c(C)n1.CCN1CCCC1C(C)C.Cc1cc(C(C)C)no1.Cc1nn(C(C)C)cc1C(C)C
InChIInChI=1S/2C10H18N2.C9H19N.C8H15NO.C8H17N.C7H11NO.C6H10N2.C6H9NO.C6H11NO.C6H9NO/c1-7(2)10-6-12(8(3)4)11-9(10)5;1-5-6-12-7-10(8(2)3)9(4)11-12;1-4-10-7-5-6-9(10)8(2)3;1-6(2)7-5-8(3,4)10-9-7;1-7(2)8-5-4-6-9(8)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6/h6-8H,1-5H3;7-8H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6H,5H2,1-4H3;7-8H,4-6H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3
InChIKeyZUBPVSGIJFRSRI-UHFFFAOYSA-N
MW1313.02 g/mol
LogP20.33
Rot. Bonds14

About 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole

5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole (PubChem CID 162220664) has the molecular formula C76H137N13O5 and a molecular weight of 1313.02 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole
PubChem CID162220664
Molecular FormulaC76H137N13O5
Molecular Weight1313.02 g/mol
Exact Mass1312.09
IUPAC Name5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole
SMILESCC(C)C1=NOC(C)(C)C1.CC(C)C1CC=NO1.CC(C)C1CCCN1C.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CCCn1cc(C(C)C)c(C)n1.CCN1CCCC1C(C)C.Cc1cc(C(C)C)no1.Cc1nn(C(C)C)cc1C(C)C
InChIInChI=1S/2C10H18N2.C9H19N.C8H15NO.C8H17N.C7H11NO.C6H10N2.C6H9NO.C6H11NO.C6H9NO/c1-7(2)10-6-12(8(3)4)11-9(10)5;1-5-6-12-7-10(8(2)3)9(4)11-12;1-4-10-7-5-6-9(10)8(2)3;1-6(2)7-5-8(3,4)10-9-7;1-7(2)8-5-4-6-9(8)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6/h6-8H,1-5H3;7-8H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6H,5H2,1-4H3;7-8H,4-6H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3
InChIKeyZUBPVSGIJFRSRI-UHFFFAOYSA-N
XLogP20.33
TPSA192.07 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.02
LogP ≤ 520.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;N,2-dimethylpropan-1-amine;ethane
CID 157108310
1-cyclopropyl-3-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 157213949
3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine
CID 157475877
tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine
CID 158122769
4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole
CID 159131338
3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine
CID 159458187
1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 159820526
4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole
CID 160786993
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 164989833
CID 165048487
CID 165048487

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole (CID 162220664) is 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole is CC(C)C1=NOC(C)(C)C1.CC(C)C1CC=NO1.CC(C)C1CCCN1C.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CCCn1cc(C(C)C)c(C)n1.CCN1CCCC1C(C)C.Cc1cc(C(C)C)no1.Cc1nn(C(C)C)cc1C(C)C.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole?
The InChIKey is ZUBPVSGIJFRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.C9H19N.C8H15NO.C8H17N.C7H11NO.C6H10N2.C6H9NO.C6H11NO.C6H9NO/c1-7(2)10-6-12(8(3)4)11-9(10)5;1-5-6-12-7-10(8(2)3)9(4)11-12;1-4-10-7-5-6-9(10)8(2)3;1-6(2)7-5-8(3,4)10-9-7;1-7(2)8-5-4-6-9(8)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6/h6-8H,1-5H3;7-8H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6H,5H2,1-4H3;7-8H,4-6H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole?
5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole has a molecular weight of 1313.02 g/mol, XLogP of 20.33, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 162220664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).