4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide

C21H29N3O4S — CID 71857905

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC(C)C3(N4CCOCC4)CCCC3)cc2)co1
InChIInChI=1S/C21H29N3O4S/c1-16(21(9-3-4-10-21)24-11-13-27-14-12-24)23-29(25,26)19-7-5-18(6-8-19)20-15-28-17(2)22-20/h5-8,15-16,23H,3-4,9-14H2,1-2H3
InChIKeyZVXCGVUKVIZPMP-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.96
Rot. Bonds6

About 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide (PubChem CID 71857905) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide
PubChem CID71857905
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC(C)C3(N4CCOCC4)CCCC3)cc2)co1
InChIInChI=1S/C21H29N3O4S/c1-16(21(9-3-4-10-21)24-11-13-27-14-12-24)23-29(25,26)19-7-5-18(6-8-19)20-15-28-17(2)22-20/h5-8,15-16,23H,3-4,9-14H2,1-2H3
InChIKeyZVXCGVUKVIZPMP-UHFFFAOYSA-N
XLogP2.96
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide
CID 99818902
N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583158
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702726
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 100694432
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122340941
1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974771
N-[2-(cycloheptylamino)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 119987178
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-(3-chloro-2-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583093

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide (CID 71857905) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NC(C)C3(N4CCOCC4)CCCC3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide?
The InChIKey is ZVXCGVUKVIZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-16(21(9-3-4-10-21)24-11-13-27-14-12-24)23-29(25,26)19-7-5-18(6-8-19)20-15-28-17(2)22-20/h5-8,15-16,23H,3-4,9-14H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71857905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).