5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one

C12H12ClNO2 — CID 82083954

IUPAC5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2cccc(Cl)c2)CN1C1CC1
InChIInChI=1S/C12H12ClNO2/c13-9-3-1-2-8(6-9)11-7-14(10-4-5-10)12(15)16-11/h1-3,6,10-11H,4-5,7H2
InChIKeyITNVFEKLIHTPCZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.00
Rot. Bonds2

About 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one

5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one (PubChem CID 82083954) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
PubChem CID82083954
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2cccc(Cl)c2)CN1C1CC1
InChIInChI=1S/C12H12ClNO2/c13-9-3-1-2-8(6-9)11-7-14(10-4-5-10)12(15)16-11/h1-3,6,10-11H,4-5,7H2
InChIKeyITNVFEKLIHTPCZ-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one (CID 82083954) is 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one is O=C1OC(c2cccc(Cl)c2)CN1C1CC1.
What is the InChIKey of 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one?
The InChIKey is ITNVFEKLIHTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-3-1-2-8(6-9)11-7-14(10-4-5-10)12(15)16-11/h1-3,6,10-11H,4-5,7H2.
What are the key properties of 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one?
5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one has a molecular weight of 237.69 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 82083954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).