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

C19H22N4O2 — CID 86803982

IUPAC4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ncco2)c1)N1CCC(N2CC=CC2)CC1
InChIInChI=1S/C19H22N4O2/c24-19(23-11-6-17(7-12-23)22-9-1-2-10-22)21-16-5-3-4-15(14-16)18-20-8-13-25-18/h1-5,8,13-14,17H,6-7,9-12H2,(H,21,24)
InChIKeyGGNHMZUZMOGYDU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.21
Rot. Bonds3

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

4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 86803982) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID86803982
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ncco2)c1)N1CCC(N2CC=CC2)CC1
InChIInChI=1S/C19H22N4O2/c24-19(23-11-6-17(7-12-23)22-9-1-2-10-22)21-16-5-3-4-15(14-16)18-20-8-13-25-18/h1-5,8,13-14,17H,6-7,9-12H2,(H,21,24)
InChIKeyGGNHMZUZMOGYDU-UHFFFAOYSA-N
XLogP3.21
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[3-(methylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 98349166
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318
4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 20630715
4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 126788415
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 98345366
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide (CID 86803982) is 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(-c2ncco2)c1)N1CCC(N2CC=CC2)CC1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is GGNHMZUZMOGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(23-11-6-17(7-12-23)22-9-1-2-10-22)21-16-5-3-4-15(14-16)18-20-8-13-25-18/h1-5,8,13-14,17H,6-7,9-12H2,(H,21,24).
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 86803982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).