[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate

C18H14ClNO4 — CID 16869944

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
SMILESCOc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1
InChIInChI=1S/C18H14ClNO4/c1-22-14-8-6-12(7-9-14)17-10-13(20-24-17)11-23-18(21)15-4-2-3-5-16(15)19/h2-10H,11H2,1H3
InChIKeyBKMIQDSOVWSICQ-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.36
Rot. Bonds5

About [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate (PubChem CID 16869944) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
PubChem CID16869944
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
SMILESCOc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1
InChIInChI=1S/C18H14ClNO4/c1-22-14-8-6-12(7-9-14)17-10-13(20-24-17)11-23-18(21)15-4-2-3-5-16(15)19/h2-10H,11H2,1H3
InChIKeyBKMIQDSOVWSICQ-UHFFFAOYSA-N
XLogP4.36
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869971
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
CID 16869906
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate (CID 16869944) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate is COc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
The InChIKey is BKMIQDSOVWSICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-22-14-8-6-12(7-9-14)17-10-13(20-24-17)11-23-18(21)15-4-2-3-5-16(15)19/h2-10H,11H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate has a molecular weight of 343.77 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate is sourced from PubChem (CID 16869944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).