methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate

C16H12N2O5 — CID 110766421

IUPACmethyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C16H12N2O5/c1-22-15(20)10-3-2-4-11(7-10)17-14(19)9-5-6-12-13(8-9)23-16(21)18-12/h2-8H,1H3,(H,17,19)(H,18,21)
InChIKeyKEHLLFYNXRTIKE-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.16
Rot. Bonds3

About methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate

methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate (PubChem CID 110766421) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
PubChem CID110766421
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Namemethyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C16H12N2O5/c1-22-15(20)10-3-2-4-11(7-10)17-14(19)9-5-6-12-13(8-9)23-16(21)18-12/h2-8H,1H3,(H,17,19)(H,18,21)
InChIKeyKEHLLFYNXRTIKE-UHFFFAOYSA-N
XLogP2.16
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344771
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
CID 37155913
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate (CID 110766421) is methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate?
The InChIKey is KEHLLFYNXRTIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-22-15(20)10-3-2-4-11(7-10)17-14(19)9-5-6-12-13(8-9)23-16(21)18-12/h2-8H,1H3,(H,17,19)(H,18,21).
What are the key properties of methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate?
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate has a molecular weight of 312.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate is sourced from PubChem (CID 110766421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).