(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C19H17N3O2 — CID 51081134

IUPAC(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCCC1c1ccncc1
InChIInChI=1S/C19H17N3O2/c23-19(18-13-16(21-24-18)14-5-2-1-3-6-14)22-12-4-7-17(22)15-8-10-20-11-9-15/h1-3,5-6,8-11,13,17H,4,7,12H2
InChIKeyKSHQJUVTEQCZIW-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.71
Rot. Bonds3

About (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 51081134) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID51081134
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCCC1c1ccncc1
InChIInChI=1S/C19H17N3O2/c23-19(18-13-16(21-24-18)14-5-2-1-3-6-14)22-12-4-7-17(22)15-8-10-20-11-9-15/h1-3,5-6,8-11,13,17H,4,7,12H2
InChIKeyKSHQJUVTEQCZIW-UHFFFAOYSA-N
XLogP3.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-1,2-oxazol-5-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51612891
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46266441
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51612927
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46472002
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 51611901
1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249820
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 51081134) is (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cc(-c2ccccc2)no1)N1CCCC1c1ccncc1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is KSHQJUVTEQCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(18-13-16(21-24-18)14-5-2-1-3-6-14)22-12-4-7-17(22)15-8-10-20-11-9-15/h1-3,5-6,8-11,13,17H,4,7,12H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 51081134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).