N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide

C19H15N3O4S — CID 46968281

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(Cc2cnc(NC(=O)c3ccc4oc(=O)[nH]c4c3)s2)cc1
InChIInChI=1S/C19H15N3O4S/c1-25-13-5-2-11(3-6-13)8-14-10-20-18(27-14)22-17(23)12-4-7-16-15(9-12)21-19(24)26-16/h2-7,9-10H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyWOCKWZREVUMYAO-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.43
Rot. Bonds5

About N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide

N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide (PubChem CID 46968281) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
PubChem CID46968281
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(Cc2cnc(NC(=O)c3ccc4oc(=O)[nH]c4c3)s2)cc1
InChIInChI=1S/C19H15N3O4S/c1-25-13-5-2-11(3-6-13)8-14-10-20-18(27-14)22-17(23)12-4-7-16-15(9-12)21-19(24)26-16/h2-7,9-10H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyWOCKWZREVUMYAO-UHFFFAOYSA-N
XLogP3.43
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide (CID 46968281) is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide is COc1ccc(Cc2cnc(NC(=O)c3ccc4oc(=O)[nH]c4c3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The InChIKey is WOCKWZREVUMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-25-13-5-2-11(3-6-13)8-14-10-20-18(27-14)22-17(23)12-4-7-16-15(9-12)21-19(24)26-16/h2-7,9-10H,8H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 46968281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).