N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

C20H15N3O4S — CID 75469833

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cccc3c2oc(=O)n3C)nc1-c1ccccc1
InChIInChI=1S/C20H15N3O4S/c1-11(24)17-15(12-7-4-3-5-8-12)21-19(28-17)22-18(25)13-9-6-10-14-16(13)27-20(26)23(14)2/h3-10H,1-2H3,(H,21,22,25)
InChIKeyNXLMNPWMKCRZSD-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.71
Rot. Bonds4

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 75469833) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID75469833
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cccc3c2oc(=O)n3C)nc1-c1ccccc1
InChIInChI=1S/C20H15N3O4S/c1-11(24)17-15(12-7-4-3-5-8-12)21-19(28-17)22-18(25)13-9-6-10-14-16(13)27-20(26)23(14)2/h3-10H,1-2H3,(H,21,22,25)
InChIKeyNXLMNPWMKCRZSD-UHFFFAOYSA-N
XLogP3.71
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 126770081
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
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N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
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CID 24687299
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-bromo-5-methoxybenzamide
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N-[1-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 112767846
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-chloro-5-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 75469833) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is CC(=O)c1sc(NC(=O)c2cccc3c2oc(=O)n3C)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is NXLMNPWMKCRZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c1-11(24)17-15(12-7-4-3-5-8-12)21-19(28-17)22-18(25)13-9-6-10-14-16(13)27-20(26)23(14)2/h3-10H,1-2H3,(H,21,22,25).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 75469833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).