[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C18H22N2O2 — CID 46266435

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC2c2ccccc2C)no1
InChIInChI=1S/C18H22N2O2/c1-3-7-14-12-16(19-22-14)18(21)20-11-6-10-17(20)15-9-5-4-8-13(15)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKeyQWMVHZJJJDJBDO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.91
Rot. Bonds4

About [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 46266435) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID46266435
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC2c2ccccc2C)no1
InChIInChI=1S/C18H22N2O2/c1-3-7-14-12-16(19-22-14)18(21)20-11-6-10-17(20)15-9-5-4-8-13(15)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKeyQWMVHZJJJDJBDO-UHFFFAOYSA-N
XLogP3.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 46266435) is [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCCC2c2ccccc2C)no1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is QWMVHZJJJDJBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-7-14-12-16(19-22-14)18(21)20-11-6-10-17(20)15-9-5-4-8-13(15)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 46266435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).