[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone

C19H18N4O3 — CID 156611490

IUPAC[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(CO)C(c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C19H18N4O3/c24-12-15-10-23(19(25)13-5-2-1-3-6-13)11-16(15)18-21-17(22-26-18)14-7-4-8-20-9-14/h1-9,15-16,24H,10-12H2
InChIKeyYNWARCOVYCNWFV-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.98
Rot. Bonds4

About [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone

[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 156611490) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID156611490
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(CO)C(c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C19H18N4O3/c24-12-15-10-23(19(25)13-5-2-1-3-6-13)11-16(15)18-21-17(22-26-18)14-7-4-8-20-9-14/h1-9,15-16,24H,10-12H2
InChIKeyYNWARCOVYCNWFV-UHFFFAOYSA-N
XLogP1.98
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 171145045
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156601911
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 171144465
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
6-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]diazinan-3-one
CID 75281240
(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone (CID 156611490) is [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC(CO)C(c2nc(-c3cccnc3)no2)C1.
What is the InChIKey of [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is YNWARCOVYCNWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-12-15-10-23(19(25)13-5-2-1-3-6-13)11-16(15)18-21-17(22-26-18)14-7-4-8-20-9-14/h1-9,15-16,24H,10-12H2.
What are the key properties of [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone?
[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 350.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 156611490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).