4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide

C19H19N5O3 — CID 166193083

IUPAC4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)N2CCCCC2c2nc(-c3ccccc3)no2)c[nH]1
InChIInChI=1S/C19H19N5O3/c20-16(25)14-10-13(11-21-14)19(26)24-9-5-4-8-15(24)18-22-17(23-27-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,15,21H,4-5,8-9H2,(H2,20,25)
InChIKeyUYELOKGEYDBWCW-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.53
Rot. Bonds4

About 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide

4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide (PubChem CID 166193083) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide
PubChem CID166193083
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)N2CCCCC2c2nc(-c3ccccc3)no2)c[nH]1
InChIInChI=1S/C19H19N5O3/c20-16(25)14-10-13(11-21-14)19(26)24-9-5-4-8-15(24)18-22-17(23-27-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,15,21H,4-5,8-9H2,(H2,20,25)
InChIKeyUYELOKGEYDBWCW-UHFFFAOYSA-N
XLogP2.53
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
[3,5-bis(trifluoromethyl)phenyl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5012942
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630
[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 96575674
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 4241669
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
(5-amino-2-methylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 120630504
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide (CID 166193083) is 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(C(=O)N2CCCCC2c2nc(-c3ccccc3)no2)c[nH]1.
What is the InChIKey of 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UYELOKGEYDBWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c20-16(25)14-10-13(11-21-14)19(26)24-9-5-4-8-15(24)18-22-17(23-27-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,15,21H,4-5,8-9H2,(H2,20,25).
What are the key properties of 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166193083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).