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

C13H12ClF2N3O4S — CID 67111129

IUPAC2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2coc(Cl)n2)cc1F
InChIInChI=1S/C13H12ClF2N3O4S/c1-24(21,22)19-11-8(15)4-7(5-9(11)16)2-3-17-12(20)10-6-23-13(14)18-10/h4-6,19H,2-3H2,1H3,(H,17,20)
InChIKeyAFQUIHLYFHDZNX-UHFFFAOYSA-N
MW379.77 g/mol
LogP1.95
Rot. Bonds6

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

2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 67111129) has the molecular formula C13H12ClF2N3O4S and a molecular weight of 379.77 g/mol. Its IUPAC name is 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID67111129
Molecular FormulaC13H12ClF2N3O4S
Molecular Weight379.77 g/mol
Exact Mass379.02
IUPAC Name2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2coc(Cl)n2)cc1F
InChIInChI=1S/C13H12ClF2N3O4S/c1-24(21,22)19-11-8(15)4-7(5-9(11)16)2-3-17-12(20)10-6-23-13(14)18-10/h4-6,19H,2-3H2,1H3,(H,17,20)
InChIKeyAFQUIHLYFHDZNX-UHFFFAOYSA-N
XLogP1.95
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide
CID 44603061
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67112020
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 25008131
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(propan-2-ylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 69043623
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 67237818
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 68613745
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3789916
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 67239219
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
2-(3-bromo-5-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67238408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide (CID 67111129) is 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide is CS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2coc(Cl)n2)cc1F.
What is the InChIKey of 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AFQUIHLYFHDZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O4S/c1-24(21,22)19-11-8(15)4-7(5-9(11)16)2-3-17-12(20)10-6-23-13(14)18-10/h4-6,19H,2-3H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67111129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).