(2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C17H18ClFN2O2 — CID 46366301

IUPAC(2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2c(F)cccc2Cl)on1
InChIInChI=1S/C17H18ClFN2O2/c1-10(2)13-9-15(23-20-13)14-7-4-8-21(14)17(22)16-11(18)5-3-6-12(16)19/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyXVCVWRXDDUUEDB-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.57
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 46366301) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID46366301
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name(2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2c(F)cccc2Cl)on1
InChIInChI=1S/C17H18ClFN2O2/c1-10(2)13-9-15(23-20-13)14-7-4-8-21(14)17(22)16-11(18)5-3-6-12(16)19/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyXVCVWRXDDUUEDB-UHFFFAOYSA-N
XLogP4.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 46366301) is (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2c(F)cccc2Cl)on1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XVCVWRXDDUUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-10(2)13-9-15(23-20-13)14-7-4-8-21(14)17(22)16-11(18)5-3-6-12(16)19/h3,5-6,9-10,14H,4,7-8H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 336.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46366301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).