[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

C13H10ClFN2O4 — CID 2500864

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2c(F)cccc2Cl)no1
InChIInChI=1S/C13H10ClFN2O4/c1-7-5-10(17-21-7)16-11(18)6-20-13(19)12-8(14)3-2-4-9(12)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyQSILGDQQASKEEG-UHFFFAOYSA-N
MW312.68 g/mol
LogP2.57
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 2500864) has the molecular formula C13H10ClFN2O4 and a molecular weight of 312.68 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID2500864
Molecular FormulaC13H10ClFN2O4
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2c(F)cccc2Cl)no1
InChIInChI=1S/C13H10ClFN2O4/c1-7-5-10(17-21-7)16-11(18)6-20-13(19)12-8(14)3-2-4-9(12)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyQSILGDQQASKEEG-UHFFFAOYSA-N
XLogP2.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 16540717
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 18128885
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529376
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820428
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7690919
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2478527
[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825162
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 2500864) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is Cc1cc(NC(=O)COC(=O)c2c(F)cccc2Cl)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is QSILGDQQASKEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O4/c1-7-5-10(17-21-7)16-11(18)6-20-13(19)12-8(14)3-2-4-9(12)15/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 312.68 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 2500864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).