(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

C15H15ClN2O4 — CID 2432722

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4/c1-9-13(10(2)22-18-9)8-21-14(19)7-17-15(20)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyVHNDHTOQHYBSSW-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.42
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 2432722) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID2432722
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4/c1-9-13(10(2)22-18-9)8-21-14(19)7-17-15(20)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyVHNDHTOQHYBSSW-UHFFFAOYSA-N
XLogP2.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 2435653
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2435899
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681595
[1-[1-(2,4-Dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4781056
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}acetamide
CID 1484414
Methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate
CID 651066
[2-(Cyclopropylamino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2371752
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2404496
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 2456379
[2-(Benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660589
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 9502444
Methyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate
CID 717959

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (CID 2432722) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is Cc1noc(C)c1COC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is VHNDHTOQHYBSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-9-13(10(2)22-18-9)8-21-14(19)7-17-15(20)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 322.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2432722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).