(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate

C17H13NO4 — CID 1474661

IUPAC(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H13NO4/c1-20-14-9-5-8-13(10-14)17(19)21-16-11-15(18-22-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyJHMUUQPIQINFEL-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.57
Rot. Bonds4

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

(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate (PubChem CID 1474661) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate
PubChem CID1474661
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H13NO4/c1-20-14-9-5-8-13(10-14)17(19)21-16-11-15(18-22-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyJHMUUQPIQINFEL-UHFFFAOYSA-N
XLogP3.57
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
CID 1061733
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7594594
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
CID 18196876
[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
CID 51055617

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate (CID 1474661) is (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate is COc1cccc(C(=O)Oc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate?
The InChIKey is JHMUUQPIQINFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-20-14-9-5-8-13(10-14)17(19)21-16-11-15(18-22-16)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate?
(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate has a molecular weight of 295.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate is sourced from PubChem (CID 1474661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).