3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one

C14H10ClNO2 — CID 2744506

IUPAC3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10ClNO2/c15-11-5-3-4-10(8-11)9-16-12-6-1-2-7-13(12)18-14(16)17/h1-8H,9H2
InChIKeyRYQQWSVUVIURCE-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.30
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one

3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 2744506) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID2744506
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10ClNO2/c15-11-5-3-4-10(8-11)9-16-12-6-1-2-7-13(12)18-14(16)17/h1-8H,9H2
InChIKeyRYQQWSVUVIURCE-UHFFFAOYSA-N
XLogP3.30
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one (CID 2744506) is 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is RYQQWSVUVIURCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-11-5-3-4-10(8-11)9-16-12-6-1-2-7-13(12)18-14(16)17/h1-8H,9H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one?
3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 259.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2744506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).