2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide

C16H18N2O4S — CID 75387753

IUPAC2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H18N2O4S/c1-16(2)9-13(16)15(19)18-23(20,21)10-12-8-14(17-22-12)11-6-4-3-5-7-11/h3-8,13H,9-10H2,1-2H3,(H,18,19)
InChIKeySKWZWUOHBKVRRC-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.33
Rot. Bonds5

About 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide (PubChem CID 75387753) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide
PubChem CID75387753
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H18N2O4S/c1-16(2)9-13(16)15(19)18-23(20,21)10-12-8-14(17-22-12)11-6-4-3-5-7-11/h3-8,13H,9-10H2,1-2H3,(H,18,19)
InChIKeySKWZWUOHBKVRRC-UHFFFAOYSA-N
XLogP2.33
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

Parecoxib
CID 119828
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
CID 66559118
N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
CID 66558021
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1,2-oxazol-5-yl)butanamide
CID 66559115
N-((1,2-Benzisoxazol-3-ylmethyl)sulfonyl)acetamide
CID 10467478
4-[3-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 71453381
N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
CID 56774059
N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide
CID 56774103
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide
CID 56774306
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide
CID 51107399
N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonylamino]acetamide
CID 53595263
2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
CID 56800236

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide (CID 75387753) is 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide is CC1(C)CC1C(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide?
The InChIKey is SKWZWUOHBKVRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-16(2)9-13(16)15(19)18-23(20,21)10-12-8-14(17-22-12)11-6-4-3-5-7-11/h3-8,13H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).