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

C15H16ClNO4 — CID 70415290

IUPAC2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(C3CCCCC3)noc2c1Cl
InChIInChI=1S/C15H16ClNO4/c16-13-11(20-8-12(18)19)7-6-10-14(17-21-15(10)13)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,19)
InChIKeyJHMIJIWMVRZPCP-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.99
Rot. Bonds4

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

2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid (PubChem CID 70415290) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid
PubChem CID70415290
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(C3CCCCC3)noc2c1Cl
InChIInChI=1S/C15H16ClNO4/c16-13-11(20-8-12(18)19)7-6-10-14(17-21-15(10)13)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,19)
InChIKeyJHMIJIWMVRZPCP-UHFFFAOYSA-N
XLogP3.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid?
The IUPAC name of 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid (CID 70415290) is 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid is O=C(O)COc1ccc2c(C3CCCCC3)noc2c1Cl.
What is the InChIKey of 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid?
The InChIKey is JHMIJIWMVRZPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c16-13-11(20-8-12(18)19)7-6-10-14(17-21-15(10)13)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,19).
What are the key properties of 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid?
2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid has a molecular weight of 309.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid is sourced from PubChem (CID 70415290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).