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

C18H14ClNO3 — CID 16869440

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
SMILESCc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1
InChIInChI=1S/C18H14ClNO3/c1-12-6-8-13(9-7-12)17-10-14(20-23-17)11-22-18(21)15-4-2-3-5-16(15)19/h2-10H,11H2,1H3
InChIKeyIMVUWLCXOQQXSJ-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.66
Rot. Bonds4

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

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate (PubChem CID 16869440) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
PubChem CID16869440
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
SMILESCc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1
InChIInChI=1S/C18H14ClNO3/c1-12-6-8-13(9-7-12)17-10-14(20-23-17)11-22-18(21)15-4-2-3-5-16(15)19/h2-10H,11H2,1H3
InChIKeyIMVUWLCXOQQXSJ-UHFFFAOYSA-N
XLogP4.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
CID 16869408
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 16869514

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate (CID 16869440) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate is Cc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
The InChIKey is IMVUWLCXOQQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-12-6-8-13(9-7-12)17-10-14(20-23-17)11-22-18(21)15-4-2-3-5-16(15)19/h2-10H,11H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate has a molecular weight of 327.77 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate is sourced from PubChem (CID 16869440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).