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

C18H22N4O2 — CID 175652507

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCN(C)c1cc(C2CCCN2C(=O)c2cc(C3CC3)on2)ccn1
InChIInChI=1S/C18H22N4O2/c1-21(2)17-10-13(7-8-19-17)15-4-3-9-22(15)18(23)14-11-16(24-20-14)12-5-6-12/h7-8,10-12,15H,3-6,9H2,1-2H3
InChIKeyVFEBGVKDFVTKOW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.99
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 175652507) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID175652507
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCN(C)c1cc(C2CCCN2C(=O)c2cc(C3CC3)on2)ccn1
InChIInChI=1S/C18H22N4O2/c1-21(2)17-10-13(7-8-19-17)15-4-3-9-22(15)18(23)14-11-16(24-20-14)12-5-6-12/h7-8,10-12,15H,3-6,9H2,1-2H3
InChIKeyVFEBGVKDFVTKOW-UHFFFAOYSA-N
XLogP2.99
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127246847
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125014374
N-[[2-[(2R)-1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624328
3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
1-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124943361
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 51612979
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
CID 124999262
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685159

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (CID 175652507) is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is CN(C)c1cc(C2CCCN2C(=O)c2cc(C3CC3)on2)ccn1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is VFEBGVKDFVTKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)17-10-13(7-8-19-17)15-4-3-9-22(15)18(23)14-11-16(24-20-14)12-5-6-12/h7-8,10-12,15H,3-6,9H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 175652507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).