methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate

C16H12N2O4S — CID 3238663

IUPACmethyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H12N2O4S/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-13(22-18-12)14-7-4-8-23-14/h2-9H,1H3,(H,17,19)
InChIKeyBLELAEUCAXAYAR-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.44
Rot. Bonds4

About methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate

methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate (PubChem CID 3238663) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
PubChem CID3238663
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Namemethyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H12N2O4S/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-13(22-18-12)14-7-4-8-23-14/h2-9H,1H3,(H,17,19)
InChIKeyBLELAEUCAXAYAR-UHFFFAOYSA-N
XLogP3.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-5-methylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253067
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(4-methoxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253078
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
N-(3-chloro-2-methylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 15988683
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(2-thienyl)piperazin-2-one
CID 68158201
(3S,6S)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(3-thienyl)piperazin-2-one
CID 68158560
N-(2-ethylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 3337764
N-(4-cyanophenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 16195442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate (CID 3238663) is methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The InChIKey is BLELAEUCAXAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-13(22-18-12)14-7-4-8-23-14/h2-9H,1H3,(H,17,19).
What are the key properties of methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate has a molecular weight of 328.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 3238663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).