2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole

C36H60N4O4 — CID 161408987

IUPAC2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole
SMILESCc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)o1.Cc1coc(CC(C)(C)C)n1
InChIInChI=1S/4C9H15NO/c1-7-6-11-8(10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4/h2*6H,5H2,1-4H3;2*5H,6H2,1-4H3
InChIKeyVVFLCVRQDHDVNM-UHFFFAOYSA-N
MW612.90 g/mol
LogP10.29
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole

2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole (PubChem CID 161408987) has the molecular formula C36H60N4O4 and a molecular weight of 612.90 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole
PubChem CID161408987
Molecular FormulaC36H60N4O4
Molecular Weight612.90 g/mol
Exact Mass612.46
IUPAC Name2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole
SMILESCc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)o1.Cc1coc(CC(C)(C)C)n1
InChIInChI=1S/4C9H15NO/c1-7-6-11-8(10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4/h2*6H,5H2,1-4H3;2*5H,6H2,1-4H3
InChIKeyVVFLCVRQDHDVNM-UHFFFAOYSA-N
XLogP10.29
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.90
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole 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

5-(Difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 165033333
2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole
CID 138570617
5-(3-methylbutyl)-2-[(E)-5-methyl-7-(3-propan-2-yl-1,2-oxazol-5-yl)hept-5-en-2-yl]-1,3-oxazole
CID 138570638
2-Tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole
CID 139317578
2-Methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole
CID 146367104
4-[2-Methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole
CID 155117046
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
CID 157343900
2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157590126
2,4-Ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole
CID 157921630
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
4-tert-butyl-2H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157991158
Ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 158028114

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole (CID 161408987) is 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole is Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)o1.Cc1coc(CC(C)(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole?
The InChIKey is VVFLCVRQDHDVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H15NO/c1-7-6-11-8(10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4/h2*6H,5H2,1-4H3;2*5H,6H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole?
2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole has a molecular weight of 612.90 g/mol, XLogP of 10.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 161408987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).