2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid

C15H10ClNO5 — CID 135575487

IUPAC2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccc(O)cc3)noc2c1Cl
InChIInChI=1S/C15H10ClNO5/c16-13-11(21-7-12(19)20)6-5-10-14(17-22-15(10)13)8-1-3-9(18)4-2-8/h1-6,18H,7H2,(H,19,20)
InChIKeyXUYIFDBKPNEOMQ-UHFFFAOYSA-N
MW319.70 g/mol
LogP3.32
Rot. Bonds4

About 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid

2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid (PubChem CID 135575487) has the molecular formula C15H10ClNO5 and a molecular weight of 319.70 g/mol. Its IUPAC name is 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
PubChem CID135575487
Molecular FormulaC15H10ClNO5
Molecular Weight319.70 g/mol
Exact Mass319.02
IUPAC Name2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccc(O)cc3)noc2c1Cl
InChIInChI=1S/C15H10ClNO5/c16-13-11(21-7-12(19)20)6-5-10-14(17-22-15(10)13)8-1-3-9(18)4-2-8/h1-6,18H,7H2,(H,19,20)
InChIKeyXUYIFDBKPNEOMQ-UHFFFAOYSA-N
XLogP3.32
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid
CID 70415290
2-[4-(6-bromo-1,2-benzoxazol-3-yl)-2,3-dichlorophenoxy]acetic acid
CID 20533977
ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 13015713
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 11575105
2-[(7-acetyl-3-methyl-1,2-benzoxazol-6-yl)oxy]acetic acid
CID 15563087
7-chloro-3-(3,4-dichlorophenyl)-1,2-benzoxazol-6-ol
CID 173447125
4-(7-amino-1,2-benzoxazol-3-yl)phenol
CID 136699603
2-[3-chloro-4-[4-[(3-phenyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]acetic acid
CID 18701958
2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
CID 84676549
2-[4-[1-[4-[(4-chlorophenyl)methoxy]phenyl]cyclopenta[d]oxazin-4-yl]phenoxy]acetic acid
CID 142669299
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793

Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid (CID 135575487) is 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid is O=C(O)COc1ccc2c(-c3ccc(O)cc3)noc2c1Cl.
What is the InChIKey of 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The InChIKey is XUYIFDBKPNEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO5/c16-13-11(21-7-12(19)20)6-5-10-14(17-22-15(10)13)8-1-3-9(18)4-2-8/h1-6,18H,7H2,(H,19,20).
What are the key properties of 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid has a molecular weight of 319.70 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid is sourced from PubChem (CID 135575487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).