2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

C12H11FN2O2 — CID 136670697

IUPAC2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc(CC2CC2)no1
InChIInChI=1S/C12H11FN2O2/c13-8-2-1-3-9(16)11(8)12-14-10(15-17-12)6-7-4-5-7/h1-3,7,16H,4-6H2
InChIKeyGFGDZMNSENPAAN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.53
Rot. Bonds3

About 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (PubChem CID 136670697) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
PubChem CID136670697
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc(CC2CC2)no1
InChIInChI=1S/C12H11FN2O2/c13-8-2-1-3-9(16)11(8)12-14-10(15-17-12)6-7-4-5-7/h1-3,7,16H,4-6H2
InChIKeyGFGDZMNSENPAAN-UHFFFAOYSA-N
XLogP2.53
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
3-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928462
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136789880
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63222141
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136789949
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
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 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The IUPAC name of 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (CID 136670697) is 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is Oc1cccc(F)c1-c1nc(CC2CC2)no1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The InChIKey is GFGDZMNSENPAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-8-2-1-3-9(16)11(8)12-14-10(15-17-12)6-7-4-5-7/h1-3,7,16H,4-6H2.
What are the key properties of 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol has a molecular weight of 234.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 136670697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).