methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate

C17H13NO3 — CID 12789637

IUPACmethyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H13NO3/c1-20-17(19)14-10-6-5-9-13(14)16-11-15(18-21-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyQNYNULCLAKHZSN-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.80
Rot. Bonds3

About methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate

methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate (PubChem CID 12789637) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
PubChem CID12789637
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H13NO3/c1-20-17(19)14-10-6-5-9-13(14)16-11-15(18-21-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyQNYNULCLAKHZSN-UHFFFAOYSA-N
XLogP3.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
CID 142703451
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate
CID 91807983
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2-[[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]benzoate
CID 17096031
methyl 2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)benzoate
CID 101387373

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate?
The IUPAC name of methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate (CID 12789637) is methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate.
What is the SMILES notation for methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate?
The canonical SMILES for methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate is COC(=O)c1ccccc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate?
The InChIKey is QNYNULCLAKHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-17(19)14-10-6-5-9-13(14)16-11-15(18-21-16)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate?
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate has a molecular weight of 279.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate is sourced from PubChem (CID 12789637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).