3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

C15H12ClNO2 — CID 2992039

IUPAC3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C15H12ClNO2/c1-10-6-7-14-13(8-10)17(15(18)19-14)9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
InChIKeyZWQQKPGNWSBUOT-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.60
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 2992039) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID2992039
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C15H12ClNO2/c1-10-6-7-14-13(8-10)17(15(18)19-14)9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
InChIKeyZWQQKPGNWSBUOT-UHFFFAOYSA-N
XLogP3.60
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
2-Benzoxazolinone, 5-chloro-3-methyl-
CID 22033
2-Benzoxazolinone, 5-chloro-3-ethyl-
CID 22034
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[d]oxazol-2(3H)-one
CID 25199437
N-(4-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70684858

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (CID 2992039) is 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)n(Cc3ccccc3Cl)c2c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is ZWQQKPGNWSBUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-6-7-14-13(8-10)17(15(18)19-14)9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 273.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 2992039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).