3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol

C16H13FN2O2 — CID 136789900

IUPAC3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1Cc1noc(-c2c(O)cccc2F)n1
InChIInChI=1S/C16H13FN2O2/c1-10-5-2-3-6-11(10)9-14-18-16(21-19-14)15-12(17)7-4-8-13(15)20/h2-8,20H,9H2,1H3
InChIKeyOVYPSDGTMUCWDC-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.48
Rot. Bonds3

About 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol

3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136789900) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136789900
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1Cc1noc(-c2c(O)cccc2F)n1
InChIInChI=1S/C16H13FN2O2/c1-10-5-2-3-6-11(10)9-14-18-16(21-19-14)15-12(17)7-4-8-13(15)20/h2-8,20H,9H2,1H3
InChIKeyOVYPSDGTMUCWDC-UHFFFAOYSA-N
XLogP3.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol 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-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670697
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136789880
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811636
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
4-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 63654384
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991715
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742960
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813443

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 136789900) is 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Cc1ccccc1Cc1noc(-c2c(O)cccc2F)n1.
What is the InChIKey of 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OVYPSDGTMUCWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-5-2-3-6-11(10)9-14-18-16(21-19-14)15-12(17)7-4-8-13(15)20/h2-8,20H,9H2,1H3.
What are the key properties of 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 284.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136789900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).