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

C14H11Cl2F3N2O2 — CID 10067508

IUPAC5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1c(-c2ccc(Cl)cc2F)noc1C(F)(F)Cl
InChIInChI=1S/C14H11Cl2F3N2O2/c1-2-5-20-13(22)10-11(21-23-12(10)14(16,18)19)8-4-3-7(15)6-9(8)17/h3-4,6H,2,5H2,1H3,(H,20,22)
InChIKeyYRYXBLZSEYIIID-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.56
Rot. Bonds5

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

5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide (PubChem CID 10067508) has the molecular formula C14H11Cl2F3N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide
PubChem CID10067508
Molecular FormulaC14H11Cl2F3N2O2
Molecular Weight367.15 g/mol
Exact Mass366.01
IUPAC Name5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1c(-c2ccc(Cl)cc2F)noc1C(F)(F)Cl
InChIInChI=1S/C14H11Cl2F3N2O2/c1-2-5-20-13(22)10-11(21-23-12(10)14(16,18)19)8-4-3-7(15)6-9(8)17/h3-4,6H,2,5H2,1H3,(H,20,22)
InChIKeyYRYXBLZSEYIIID-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.56
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-ethyl-1,2-oxazole-4-carboxamide
CID 10360692
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
CID 165444068
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
3-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805657
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1,2-oxazole-4-carboxamide
CID 10474827
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 9227682
3,5-dichloro-N-propylbenzamide
CID 2767298
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide (CID 10067508) is 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide is CCCNC(=O)c1c(-c2ccc(Cl)cc2F)noc1C(F)(F)Cl.
What is the InChIKey of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is YRYXBLZSEYIIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O2/c1-2-5-20-13(22)10-11(21-23-12(10)14(16,18)19)8-4-3-7(15)6-9(8)17/h3-4,6H,2,5H2,1H3,(H,20,22).
What are the key properties of 5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide?
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 367.15 g/mol, XLogP of 4.56, 5 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-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10067508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).