3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide

C16H18N2O3 — CID 126783989

IUPAC3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(c1ccccc1)C1CCOC1
InChIInChI=1S/C16H18N2O3/c1-11-15(12(2)21-17-11)16(19)18(14-8-9-20-10-14)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3
InChIKeyFKIJZZUSUYFGMA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.73
Rot. Bonds3

About 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 126783989) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide
PubChem CID126783989
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(c1ccccc1)C1CCOC1
InChIInChI=1S/C16H18N2O3/c1-11-15(12(2)21-17-11)16(19)18(14-8-9-20-10-14)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3
InChIKeyFKIJZZUSUYFGMA-UHFFFAOYSA-N
XLogP2.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide
CID 99835388
N-[(3S)-oxolan-3-yl]-N-phenylpyridine-2-carboxamide
CID 99835392
1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide
CID 126786166
(E)-N-(oxolan-3-yl)-N,3-diphenylprop-2-enamide
CID 146661343
1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide
CID 124726752
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210627
3-methoxy-4-nitro-N-(oxolan-3-yl)-N-phenylbenzamide
CID 122146183
3-methoxy-4-nitro-N-[(3S)-oxolan-3-yl]-N-phenylbenzamide
CID 124623732
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232657
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210626
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methanone
CID 163347120
(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
CID 70634600

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide (CID 126783989) is 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(c1ccccc1)C1CCOC1.
What is the InChIKey of 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is FKIJZZUSUYFGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-15(12(2)21-17-11)16(19)18(14-8-9-20-10-14)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxolan-3-yl)-N-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126783989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).