1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide

C13H20F2N2O3S — CID 126823133

IUPAC1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
SMILESCc1noc(C)c1CC(C)NS(=O)(=O)CC1(C)CC1(F)F
InChIInChI=1S/C13H20F2N2O3S/c1-8(5-11-9(2)16-20-10(11)3)17-21(18,19)7-12(4)6-13(12,14)15/h8,17H,5-7H2,1-4H3
InChIKeyLGCPRQQLNFYGAA-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.19
Rot. Bonds6

About 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide

1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide (PubChem CID 126823133) has the molecular formula C13H20F2N2O3S and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
PubChem CID126823133
Molecular FormulaC13H20F2N2O3S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
SMILESCc1noc(C)c1CC(C)NS(=O)(=O)CC1(C)CC1(F)F
InChIInChI=1S/C13H20F2N2O3S/c1-8(5-11-9(2)16-20-10(11)3)17-21(18,19)7-12(4)6-13(12,14)15/h8,17H,5-7H2,1-4H3
InChIKeyLGCPRQQLNFYGAA-UHFFFAOYSA-N
XLogP2.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide
CID 126835318
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide
CID 166259131
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,3-thiazole-2-sulfonamide
CID 126800198
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine
CID 122239897
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylsulfamoyl]-1-benzothiophene-2-carboxylic acid
CID 146092772
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
CID 71868178
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424917
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328707

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide (CID 126823133) is 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide is Cc1noc(C)c1CC(C)NS(=O)(=O)CC1(C)CC1(F)F.
What is the InChIKey of 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide?
The InChIKey is LGCPRQQLNFYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3S/c1-8(5-11-9(2)16-20-10(11)3)17-21(18,19)7-12(4)6-13(12,14)15/h8,17H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide?
1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide has a molecular weight of 322.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 126823133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).