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

C18H21ClN2O2 — CID 47000872

IUPAC2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C18H21ClN2O2/c1-12(2)15-11-17(23-20-15)16-4-3-9-21(16)18(22)10-13-5-7-14(19)8-6-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyUIPGJVMIERNFKP-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.36
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 47000872) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID47000872
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C18H21ClN2O2/c1-12(2)15-11-17(23-20-15)16-4-3-9-21(16)18(22)10-13-5-7-14(19)8-6-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyUIPGJVMIERNFKP-UHFFFAOYSA-N
XLogP4.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.36
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-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 47000872) is 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is CC(C)c1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is UIPGJVMIERNFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(2)15-11-17(23-20-15)16-4-3-9-21(16)18(22)10-13-5-7-14(19)8-6-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 332.83 g/mol, XLogP of 4.36, 4 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-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 47000872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).