2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole

C17H20N2O3S — CID 20959137

IUPAC2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H20N2O3S/c1-12-4-5-14(15-11-18-17(22-15)13-6-7-13)10-16(12)23(20,21)19-8-2-3-9-19/h4-5,10-11,13H,2-3,6-9H2,1H3
InChIKeyGRHZTUQIMKJSBX-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.31
Rot. Bonds4

About 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole

2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole (PubChem CID 20959137) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
PubChem CID20959137
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H20N2O3S/c1-12-4-5-14(15-11-18-17(22-15)13-6-7-13)10-16(12)23(20,21)19-8-2-3-9-19/h4-5,10-11,13H,2-3,6-9H2,1H3
InChIKeyGRHZTUQIMKJSBX-UHFFFAOYSA-N
XLogP3.31
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20959170
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958920
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366050
N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366049
N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133053
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
(1S,5R)-9-methyl-7-[2-methyl-5-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135120650
2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53097974

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole (CID 20959137) is 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole is Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
The InChIKey is GRHZTUQIMKJSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-5-14(15-11-18-17(22-15)13-6-7-13)10-16(12)23(20,21)19-8-2-3-9-19/h4-5,10-11,13H,2-3,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole has a molecular weight of 332.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 20959137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).