[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C19H16ClN3O2 — CID 59170111

IUPAC[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnoc1-c1cccc(Cl)c1)N1CCCC1c1ccccn1
InChIInChI=1S/C19H16ClN3O2/c20-14-6-3-5-13(11-14)18-15(12-22-25-18)19(24)23-10-4-8-17(23)16-7-1-2-9-21-16/h1-3,5-7,9,11-12,17H,4,8,10H2
InChIKeyIPYXZNKGBFBDEC-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.37
Rot. Bonds3

About [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 59170111) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID59170111
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnoc1-c1cccc(Cl)c1)N1CCCC1c1ccccn1
InChIInChI=1S/C19H16ClN3O2/c20-14-6-3-5-13(11-14)18-15(12-22-25-18)19(24)23-10-4-8-17(23)16-7-1-2-9-21-16/h1-3,5-7,9,11-12,17H,4,8,10H2
InChIKeyIPYXZNKGBFBDEC-UHFFFAOYSA-N
XLogP4.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 24809760
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 59170215
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26406283
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 53379502
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 59170111) is [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(c1cnoc1-c1cccc(Cl)c1)N1CCCC1c1ccccn1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is IPYXZNKGBFBDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-6-3-5-13(11-14)18-15(12-22-25-18)19(24)23-10-4-8-17(23)16-7-1-2-9-21-16/h1-3,5-7,9,11-12,17H,4,8,10H2.
What are the key properties of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 353.81 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 59170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).