3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide

C15H16N2O4S — CID 16942364

IUPAC3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1onc2c1CCC2
InChIInChI=1S/C15H16N2O4S/c18-14(16-15-12-7-4-8-13(12)17-21-15)9-10-22(19,20)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18)
InChIKeyKCKLDHPJWOEVBQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.97
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide

3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide (PubChem CID 16942364) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide
PubChem CID16942364
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1onc2c1CCC2
InChIInChI=1S/C15H16N2O4S/c18-14(16-15-12-7-4-8-13(12)17-21-15)9-10-22(19,20)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18)
InChIKeyKCKLDHPJWOEVBQ-UHFFFAOYSA-N
XLogP1.97
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 16942401
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 16942524
4-benzyl-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942332
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
2-chloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 139801659
4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942451
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7195562
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide (CID 16942364) is 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1onc2c1CCC2.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide?
The InChIKey is KCKLDHPJWOEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-14(16-15-12-7-4-8-13(12)17-21-15)9-10-22(19,20)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide?
3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide has a molecular weight of 320.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)propanamide is sourced from PubChem (CID 16942364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).