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

C18H21N3O2 — CID 53195321

IUPAC(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1oc(C2CCC2)nc1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C18H21N3O2/c1-12-16(20-17(23-12)13-5-2-6-13)18(22)21-10-4-8-15(21)14-7-3-9-19-11-14/h3,7,9,11,13,15H,2,4-6,8,10H2,1H3
InChIKeyBOECFNWNHVVZOC-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.62
Rot. Bonds3

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

(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 53195321) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID53195321
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1oc(C2CCC2)nc1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C18H21N3O2/c1-12-16(20-17(23-12)13-5-2-6-13)18(22)21-10-4-8-15(21)14-7-3-9-19-11-14/h3,7,9,11,13,15H,2,4-6,8,10H2,1H3
InChIKeyBOECFNWNHVVZOC-UHFFFAOYSA-N
XLogP3.62
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 53195321) is (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1oc(C2CCC2)nc1C(=O)N1CCCC1c1cccnc1.
What is the InChIKey of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is BOECFNWNHVVZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-16(20-17(23-12)13-5-2-6-13)18(22)21-10-4-8-15(21)14-7-3-9-19-11-14/h3,7,9,11,13,15H,2,4-6,8,10H2,1H3.
What are the key properties of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 53195321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).