(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

C17H19N3O2 — CID 119043459

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC(Cc2ccncc2)C1
InChIInChI=1S/C17H19N3O2/c21-17(15-10-16(22-19-15)14-1-2-14)20-8-5-13(11-20)9-12-3-6-18-7-4-12/h3-4,6-7,10,13-14H,1-2,5,8-9,11H2
InChIKeyLXYFUXDKRROEHF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 119043459) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID119043459
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC(Cc2ccncc2)C1
InChIInChI=1S/C17H19N3O2/c21-17(15-10-16(22-19-15)14-1-2-14)20-8-5-13(11-20)9-12-3-6-18-7-4-12/h3-4,6-7,10,13-14H,1-2,5,8-9,11H2
InChIKeyLXYFUXDKRROEHF-UHFFFAOYSA-N
XLogP2.65
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124862214
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
CID 126851226
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 119043459) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCC(Cc2ccncc2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LXYFUXDKRROEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(15-10-16(22-19-15)14-1-2-14)20-8-5-13(11-20)9-12-3-6-18-7-4-12/h3-4,6-7,10,13-14H,1-2,5,8-9,11H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119043459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).