6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one

C14H13ClN2O2 — CID 15724102

IUPAC6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one
SMILESO=c1nc(N2CCCC2)oc(Cl)c1-c1ccccc1
InChIInChI=1S/C14H13ClN2O2/c15-12-11(10-6-2-1-3-7-10)13(18)16-14(19-12)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2
InChIKeyVSZVUDLOAOAFAW-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.96
Rot. Bonds2

About 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one

6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one (PubChem CID 15724102) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one
PubChem CID15724102
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one
SMILESO=c1nc(N2CCCC2)oc(Cl)c1-c1ccccc1
InChIInChI=1S/C14H13ClN2O2/c15-12-11(10-6-2-1-3-7-10)13(18)16-14(19-12)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2
InChIKeyVSZVUDLOAOAFAW-UHFFFAOYSA-N
XLogP2.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one?
The IUPAC name of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one (CID 15724102) is 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one.
What is the SMILES notation for 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one?
The canonical SMILES for 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one is O=c1nc(N2CCCC2)oc(Cl)c1-c1ccccc1.
What is the InChIKey of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one?
The InChIKey is VSZVUDLOAOAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-11(10-6-2-1-3-7-10)13(18)16-14(19-12)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one?
6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one has a molecular weight of 276.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1,3-oxazin-4-one is sourced from PubChem (CID 15724102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).