[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate

C19H17NO4 — CID 16869792

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
SMILESCOc1cccc(-c2cc(COC(=O)c3ccccc3C)no2)c1
InChIInChI=1S/C19H17NO4/c1-13-6-3-4-9-17(13)19(21)23-12-15-11-18(24-20-15)14-7-5-8-16(10-14)22-2/h3-11H,12H2,1-2H3
InChIKeyPEOPVDFZHGLLLW-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.02
Rot. Bonds5

About [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate (PubChem CID 16869792) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
PubChem CID16869792
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
SMILESCOc1cccc(-c2cc(COC(=O)c3ccccc3C)no2)c1
InChIInChI=1S/C19H17NO4/c1-13-6-3-4-9-17(13)19(21)23-12-15-11-18(24-20-15)14-7-5-8-16(10-14)22-2/h3-11H,12H2,1-2H3
InChIKeyPEOPVDFZHGLLLW-UHFFFAOYSA-N
XLogP4.02
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
CID 16869906
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate (CID 16869792) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate is COc1cccc(-c2cc(COC(=O)c3ccccc3C)no2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate?
The InChIKey is PEOPVDFZHGLLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-6-3-4-9-17(13)19(21)23-12-15-11-18(24-20-15)14-7-5-8-16(10-14)22-2/h3-11H,12H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate has a molecular weight of 323.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate is sourced from PubChem (CID 16869792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).