(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate

C19H14ClNO4 — CID 18098467

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
SMILESCc1cc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H14ClNO4/c1-12-10-15(25-21-12)11-24-19(23)17-5-3-2-4-16(17)18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
InChIKeyGNXQUIYTMFEQOT-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.22
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate

(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate (PubChem CID 18098467) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
PubChem CID18098467
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
SMILESCc1cc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H14ClNO4/c1-12-10-15(25-21-12)11-24-19(23)17-5-3-2-4-16(17)18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
InChIKeyGNXQUIYTMFEQOT-UHFFFAOYSA-N
XLogP4.22
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate
CID 75524884
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 15239218
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(2-cyanophenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 2640388
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 41161348
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
decyl 2-(4-chlorobenzoyl)benzoate
CID 175281654
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate (CID 18098467) is (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate is Cc1cc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate?
The InChIKey is GNXQUIYTMFEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c1-12-10-15(25-21-12)11-24-19(23)17-5-3-2-4-16(17)18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate has a molecular weight of 355.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 18098467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).