5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide

C13H9Cl2F3N2O2 — CID 10360692

IUPAC5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide
SMILESCCNC(=O)c1c(-c2ccc(Cl)cc2F)noc1C(F)(F)Cl
InChIInChI=1S/C13H9Cl2F3N2O2/c1-2-19-12(21)9-10(20-22-11(9)13(15,17)18)7-4-3-6(14)5-8(7)16/h3-5H,2H2,1H3,(H,19,21)
InChIKeyZTJFIEQOXFNNLH-UHFFFAOYSA-N
MW353.13 g/mol
LogP4.17
Rot. Bonds4

About 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide

5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 10360692) has the molecular formula C13H9Cl2F3N2O2 and a molecular weight of 353.13 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide
PubChem CID10360692
Molecular FormulaC13H9Cl2F3N2O2
Molecular Weight353.13 g/mol
Exact Mass352.00
IUPAC Name5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide
SMILESCCNC(=O)c1c(-c2ccc(Cl)cc2F)noc1C(F)(F)Cl
InChIInChI=1S/C13H9Cl2F3N2O2/c1-2-19-12(21)9-10(20-22-11(9)13(15,17)18)7-4-3-6(14)5-8(7)16/h3-5H,2H2,1H3,(H,19,21)
InChIKeyZTJFIEQOXFNNLH-UHFFFAOYSA-N
XLogP4.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide
CID 10067508
methyl 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 10358731
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
CID 165444068
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1,2-oxazole-4-carboxamide
CID 10474827
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380
[5-tert-butyl-3-(4-chloro-2-fluorophenyl)-1,2-oxazol-4-yl]-pyrimidin-5-ylmethanol
CID 58463302
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822
3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805633
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
CID 137334943

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide (CID 10360692) is 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide is CCNC(=O)c1c(-c2ccc(Cl)cc2F)noc1C(F)(F)Cl.
What is the InChIKey of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZTJFIEQOXFNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O2/c1-2-19-12(21)9-10(20-22-11(9)13(15,17)18)7-4-3-6(14)5-8(7)16/h3-5H,2H2,1H3,(H,19,21).
What are the key properties of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide?
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 353.13 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10360692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).