2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C16H17ClN2O2 — CID 50809635

IUPAC2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C16H17ClN2O2/c1-11-9-15(21-18-11)14-3-2-8-19(14)16(20)10-12-4-6-13(17)7-5-12/h4-7,9,14H,2-3,8,10H2,1H3
InChIKeyXCDXMOJYBGCPBC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 50809635) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID50809635
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C16H17ClN2O2/c1-11-9-15(21-18-11)14-3-2-8-19(14)16(20)10-12-4-6-13(17)7-5-12/h4-7,9,14H,2-3,8,10H2,1H3
InChIKeyXCDXMOJYBGCPBC-UHFFFAOYSA-N
XLogP3.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 50809635) is 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is XCDXMOJYBGCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-9-15(21-18-11)14-3-2-8-19(14)16(20)10-12-4-6-13(17)7-5-12/h4-7,9,14H,2-3,8,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 304.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50809635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).