N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C25H23N5O4S — CID 90562953

IUPACN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H23N5O4S/c31-25(19-7-9-21(10-8-19)35(32,33)30-15-3-4-16-30)27-22-6-2-1-5-20(22)17-23-28-24(29-34-23)18-11-13-26-14-12-18/h1-2,5-14H,3-4,15-17H2,(H,27,31)
InChIKeyOZWHIOAPNGFXDV-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 90562953) has the molecular formula C25H23N5O4S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID90562953
Molecular FormulaC25H23N5O4S
Molecular Weight489.56 g/mol
Exact Mass489.15
IUPAC NameN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H23N5O4S/c31-25(19-7-9-21(10-8-19)35(32,33)30-15-3-4-16-30)27-22-6-2-1-5-20(22)17-23-28-24(29-34-23)18-11-13-26-14-12-18/h1-2,5-14H,3-4,15-17H2,(H,27,31)
InChIKeyOZWHIOAPNGFXDV-UHFFFAOYSA-N
XLogP3.76
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135477
4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562912
4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridinyl]benzamide
CID 3404667
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682921
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
N-isoquinolin-5-yl-4-piperidin-1-ylsulfonylbenzamide
CID 8763187
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 90562953) is N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is OZWHIOAPNGFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4S/c31-25(19-7-9-21(10-8-19)35(32,33)30-15-3-4-16-30)27-22-6-2-1-5-20(22)17-23-28-24(29-34-23)18-11-13-26-14-12-18/h1-2,5-14H,3-4,15-17H2,(H,27,31).
What are the key properties of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 489.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90562953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).