2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole

C49H86N6O2 — CID 158629319

IUPAC2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole
SMILESC.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1
InChIInChI=1S/C11H19N.C10H16O.2C9H16N2.C9H15NO.CH4/c1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;/h6-9H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;1H4
InChIKeyHYZKWQZOGUEIPJ-UHFFFAOYSA-N
MW791.27 g/mol
LogP15.60
Rot. Bonds10

About 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole

2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole (PubChem CID 158629319) has the molecular formula C49H86N6O2 and a molecular weight of 791.27 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole
PubChem CID158629319
Molecular FormulaC49H86N6O2
Molecular Weight791.27 g/mol
Exact Mass790.68
IUPAC Name2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole
SMILESC.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1
InChIInChI=1S/C11H19N.C10H16O.2C9H16N2.C9H15NO.CH4/c1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;/h6-9H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;1H4
InChIKeyHYZKWQZOGUEIPJ-UHFFFAOYSA-N
XLogP15.60
TPSA90.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.27
LogP ≤ 515.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole 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

3,5-diethyl-4-propan-2-yl-2H-pyrrole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 161289315
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 157208151
2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
CID 157450532
1-(fluoromethyl)-4-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
CID 157599982
CID 157700785
CID 157700785
2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
CID 158289466
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole
CID 158333917
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 158336880
CID 158355008
CID 158355008
2,3-dimethyl-5-propan-2-ylfuran;3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(4-methyl-2-propan-2-yl-1,3-oxazole);4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;tris(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 158487817
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrolidine
CID 159136983
5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 160541614

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole?
The IUPAC name of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole (CID 158629319) is 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole.
What is the SMILES notation for 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole?
The canonical SMILES for 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole is C.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)n1.
What is the InChIKey of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole?
The InChIKey is HYZKWQZOGUEIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C10H16O.2C9H16N2.C9H15NO.CH4/c1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;/h6-9H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;1H4.
What are the key properties of 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole?
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole has a molecular weight of 791.27 g/mol, XLogP of 15.60, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole is sourced from PubChem (CID 158629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).