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

C15H16N4O2S — CID 97465439

IUPAC(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCCc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)s1
InChIInChI=1S/C15H16N4O2S/c1-3-12-17-18-14(22-12)16-13(20)15(2)9-11(19-21-15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,18,20)/t15-/m0/s1
InChIKeySFIGINKOPCYJSY-HNNXBMFYSA-N
MW316.39 g/mol
LogP2.62
Rot. Bonds4

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

(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465439) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465439
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCCc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)s1
InChIInChI=1S/C15H16N4O2S/c1-3-12-17-18-14(22-12)16-13(20)15(2)9-11(19-21-15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,18,20)/t15-/m0/s1
InChIKeySFIGINKOPCYJSY-HNNXBMFYSA-N
XLogP2.62
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551808
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
(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
1-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 16592029
(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465587
(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
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 (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 97465439) is (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CCc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)s1.
What is the InChIKey of (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is SFIGINKOPCYJSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-3-12-17-18-14(22-12)16-13(20)15(2)9-11(19-21-15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,18,20)/t15-/m0/s1.
What are the key properties of (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).