N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C17H21N3O4S — CID 91814425

IUPACN-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCc1cnoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H21N3O4S/c21-17(18-9-3-4-14-12-19-24-13-14)15-5-7-16(8-6-15)25(22,23)20-10-1-2-11-20/h5-8,12-13H,1-4,9-11H2,(H,18,21)
InChIKeyJTWTVJJRZAAYDX-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.82
Rot. Bonds7

About N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 91814425) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID91814425
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCc1cnoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H21N3O4S/c21-17(18-9-3-4-14-12-19-24-13-14)15-5-7-16(8-6-15)25(22,23)20-10-1-2-11-20/h5-8,12-13H,1-4,9-11H2,(H,18,21)
InChIKeyJTWTVJJRZAAYDX-UHFFFAOYSA-N
XLogP1.82
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90620708
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
N-(1,2-oxazol-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 71797749
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 91814425) is N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCCc1cnoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is JTWTVJJRZAAYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-17(18-9-3-4-14-12-19-24-13-14)15-5-7-16(8-6-15)25(22,23)20-10-1-2-11-20/h5-8,12-13H,1-4,9-11H2,(H,18,21).
What are the key properties of N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 91814425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).