1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide

C21H21N3O4S — CID 4825656

IUPAC1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H21N3O4S/c22-18(25)15-11-13-24(14-12-15)21-20(29(26,27)17-9-5-2-6-10-17)23-19(28-21)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H2,22,25)
InChIKeyCFLCWEBCRDQQNW-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 4825656) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID4825656
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H21N3O4S/c22-18(25)15-11-13-24(14-12-15)21-20(29(26,27)17-9-5-2-6-10-17)23-19(28-21)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H2,22,25)
InChIKeyCFLCWEBCRDQQNW-UHFFFAOYSA-N
XLogP2.88
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 4825656) is 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is CFLCWEBCRDQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c22-18(25)15-11-13-24(14-12-15)21-20(29(26,27)17-9-5-2-6-10-17)23-19(28-21)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H2,22,25).
What are the key properties of 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 4825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).