4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol

C16H13NO3 — CID 135566391

IUPAC4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol
SMILESCc1onc(-c2ccc(O)cc2O)c1-c1ccccc1
InChIInChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3
InChIKeyKARJVPOSIFHKDG-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.73
Rot. Bonds2

About 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol

4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol (PubChem CID 135566391) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol
PubChem CID135566391
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol
SMILESCc1onc(-c2ccc(O)cc2O)c1-c1ccccc1
InChIInChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3
InChIKeyKARJVPOSIFHKDG-UHFFFAOYSA-N
XLogP3.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol 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

3-(6-Hydroxy-naphthalen-2-YL)-benzo[D]isooxazol-6-OL
CID 5287551
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(S)-Hydroxy(Phenyl)methyl]phenol
CID 70699441
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
3-[3-(4-Hydroxyphenyl)isoxazol-5-yl]phenol
CID 135855877
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(R)-Hydroxy(Phenyl)methyl]phenol
CID 70699440
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
2-(3-Phenyl-5-isoxazolyl)phenol
CID 873352

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol (CID 135566391) is 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol is Cc1onc(-c2ccc(O)cc2O)c1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol?
The InChIKey is KARJVPOSIFHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3.
What are the key properties of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol?
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol has a molecular weight of 267.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135566391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).