4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol

C16H12ClNO2 — CID 4063261

IUPAC4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cc(Cl)ccc3O)on2)cc1
InChIInChI=1S/C16H12ClNO2/c1-10-2-4-11(5-3-10)14-9-16(20-18-14)13-8-12(17)6-7-15(13)19/h2-9,19H,1H3
InChIKeyAMCJGMXNLYUFKZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.68
Rot. Bonds2

About 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol

4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 4063261) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID4063261
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cc(Cl)ccc3O)on2)cc1
InChIInChI=1S/C16H12ClNO2/c1-10-2-4-11(5-3-10)14-9-16(20-18-14)13-8-12(17)6-7-15(13)19/h2-9,19H,1H3
InChIKeyAMCJGMXNLYUFKZ-UHFFFAOYSA-N
XLogP4.68
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol (CID 4063261) is 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol is Cc1ccc(-c2cc(-c3cc(Cl)ccc3O)on2)cc1.
What is the InChIKey of 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is AMCJGMXNLYUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10-2-4-11(5-3-10)14-9-16(20-18-14)13-8-12(17)6-7-15(13)19/h2-9,19H,1H3.
What are the key properties of 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol?
4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 285.73 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 4063261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).