methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate

C18H14N2O4 — CID 110689290

IUPACmethyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ncoc2-c2ccccc2)c1
InChIInChI=1S/C18H14N2O4/c1-23-18(22)13-8-5-9-14(10-13)20-17(21)15-16(24-11-19-15)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,21)
InChIKeyCTJNEWHBWOYWQF-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.38
Rot. Bonds4

About methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate

methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate (PubChem CID 110689290) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
PubChem CID110689290
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Namemethyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ncoc2-c2ccccc2)c1
InChIInChI=1S/C18H14N2O4/c1-23-18(22)13-8-5-9-14(10-13)20-17(21)15-16(24-11-19-15)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,21)
InChIKeyCTJNEWHBWOYWQF-UHFFFAOYSA-N
XLogP3.38
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]benzoate
CID 62686184
methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 110861628
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate (CID 110689290) is methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ncoc2-c2ccccc2)c1.
What is the InChIKey of methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate?
The InChIKey is CTJNEWHBWOYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-23-18(22)13-8-5-9-14(10-13)20-17(21)15-16(24-11-19-15)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,21).
What are the key properties of methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate?
methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate has a molecular weight of 322.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 110689290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).