[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C15H16N2O3 — CID 61411316

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCC1CO
InChIInChI=1S/C15H16N2O3/c18-10-12-7-4-8-17(12)15(19)13-9-14(20-16-13)11-5-2-1-3-6-11/h1-3,5-6,9,12,18H,4,7-8,10H2
InChIKeyAYPGQJWVUSPJHL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.94
Rot. Bonds3

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 61411316) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID61411316
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCC1CO
InChIInChI=1S/C15H16N2O3/c18-10-12-7-4-8-17(12)15(19)13-9-14(20-16-13)11-5-2-1-3-6-11/h1-3,5-6,9,12,18H,4,7-8,10H2
InChIKeyAYPGQJWVUSPJHL-UHFFFAOYSA-N
XLogP1.94
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17252757
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 92761255
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119651338
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 4775686
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 46087237

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 61411316) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is AYPGQJWVUSPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-10-12-7-4-8-17(12)15(19)13-9-14(20-16-13)11-5-2-1-3-6-11/h1-3,5-6,9,12,18H,4,7-8,10H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 272.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 61411316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).