5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one

C15H12ClNO4 — CID 67223805

IUPAC5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc(COc2cc3oc(=O)[nH]c3cc2Cl)cc1
InChIInChI=1S/C15H12ClNO4/c1-19-10-4-2-9(3-5-10)8-20-13-7-14-12(6-11(13)16)17-15(18)21-14/h2-7H,8H2,1H3,(H,17,18)
InChIKeyKYQXANQVFMWOJU-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one

5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one (PubChem CID 67223805) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one
PubChem CID67223805
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc(COc2cc3oc(=O)[nH]c3cc2Cl)cc1
InChIInChI=1S/C15H12ClNO4/c1-19-10-4-2-9(3-5-10)8-20-13-7-14-12(6-11(13)16)17-15(18)21-14/h2-7H,8H2,1H3,(H,17,18)
InChIKeyKYQXANQVFMWOJU-UHFFFAOYSA-N
XLogP3.36
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one (CID 67223805) is 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one is COc1ccc(COc2cc3oc(=O)[nH]c3cc2Cl)cc1.
What is the InChIKey of 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one?
The InChIKey is KYQXANQVFMWOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-19-10-4-2-9(3-5-10)8-20-13-7-14-12(6-11(13)16)17-15(18)21-14/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one?
5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one has a molecular weight of 305.72 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 67223805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).