(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

C12H14N2O2 — CID 95051944

IUPAC(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C12H14N2O2/c1-12(11(15)13-2)8-10(14-16-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyOUKFKYUKFPGYFJ-GFCCVEGCSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds2

About (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 95051944) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID95051944
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C12H14N2O2/c1-12(11(15)13-2)8-10(14-16-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyOUKFKYUKFPGYFJ-GFCCVEGCSA-N
XLogP1.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
[3-methyl-1-[(5-methyl-3-phenyl-4H-1,2-oxazole-5-carbonyl)amino]butyl]boronic acid
CID 174058339
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084

Frequently Asked Questions

What is the IUPAC name of (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 95051944) is (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1.
What is the InChIKey of (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is OUKFKYUKFPGYFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(11(15)13-2)8-10(14-16-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15)/t12-/m1/s1.
What are the key properties of (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95051944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).