(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide

C15H15N3O3 — CID 97465358

IUPAC(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)no1
InChIInChI=1S/C15H15N3O3/c1-10-8-13(18-20-10)16-14(19)15(2)9-12(17-21-15)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18,19)/t15-/m0/s1
InChIKeyPDVPUUMSHUPEBC-HNNXBMFYSA-N
MW285.30 g/mol
LogP2.50
Rot. Bonds3

About (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide

(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465358) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465358
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)no1
InChIInChI=1S/C15H15N3O3/c1-10-8-13(18-20-10)16-14(19)15(2)9-12(17-21-15)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18,19)/t15-/m0/s1
InChIKeyPDVPUUMSHUPEBC-HNNXBMFYSA-N
XLogP2.50
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946065
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
(5R)-3-(3-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465721
(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465439
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 102551797
(5R)-3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 100815723
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084
(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465357

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 97465358) is (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)no1.
What is the InChIKey of (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is PDVPUUMSHUPEBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-8-13(18-20-10)16-14(19)15(2)9-12(17-21-15)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18,19)/t15-/m0/s1.
What are the key properties of (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide?
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).