(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide

C16H17N3O3S — CID 97465557

IUPAC(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@@](C)(C(=O)Nc3ncc(C)s3)C2)cc1
InChIInChI=1S/C16H17N3O3S/c1-10-9-17-15(23-10)18-14(20)16(2)8-13(19-22-16)11-4-6-12(21-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,18,20)/t16-/m1/s1
InChIKeyZQKQRJNVUWCEDJ-MRXNPFEDSA-N
MW331.40 g/mol
LogP2.98
Rot. Bonds4

About (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide

(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465557) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
PubChem CID97465557
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@@](C)(C(=O)Nc3ncc(C)s3)C2)cc1
InChIInChI=1S/C16H17N3O3S/c1-10-9-17-15(23-10)18-14(20)16(2)8-13(19-22-16)11-4-6-12(21-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,18,20)/t16-/m1/s1
InChIKeyZQKQRJNVUWCEDJ-MRXNPFEDSA-N
XLogP2.98
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946169
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951661
(5R)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51688209
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465509
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 171133295
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
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465439
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 97465571

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide (CID 97465557) is (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide is COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ncc(C)s3)C2)cc1.
What is the InChIKey of (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is ZQKQRJNVUWCEDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-9-17-15(23-10)18-14(20)16(2)8-13(19-22-16)11-4-6-12(21-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,18,20)/t16-/m1/s1.
What are the key properties of (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).