2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol

C10H9F2N3O2 — CID 136952313

IUPAC2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol
SMILESNCc1nc(-c2cc(C(F)F)ccc2O)no1
InChIInChI=1S/C10H9F2N3O2/c11-9(12)5-1-2-7(16)6(3-5)10-14-8(4-13)17-15-10/h1-3,9,16H,4,13H2
InChIKeyOINRDZNBZHYAKF-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.84
Rot. Bonds3

About 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol (PubChem CID 136952313) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol
PubChem CID136952313
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol
SMILESNCc1nc(-c2cc(C(F)F)ccc2O)no1
InChIInChI=1S/C10H9F2N3O2/c11-9(12)5-1-2-7(16)6(3-5)10-14-8(4-13)17-15-10/h1-3,9,16H,4,13H2
InChIKeyOINRDZNBZHYAKF-UHFFFAOYSA-N
XLogP1.84
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-chloro-4-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117403158
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
CID 136993733
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-bromobenzene-1,2-diol
CID 136968250
[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117337404
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3,5-difluorophenol
CID 136968528
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460
[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117335867
[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117395718
[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117375968
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-bromo-5-fluorobenzene-1,2-diol
CID 136966498

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol?
The IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol (CID 136952313) is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol?
The canonical SMILES for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol is NCc1nc(-c2cc(C(F)F)ccc2O)no1.
What is the InChIKey of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol?
The InChIKey is OINRDZNBZHYAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-9(12)5-1-2-7(16)6(3-5)10-14-8(4-13)17-15-10/h1-3,9,16H,4,13H2.
What are the key properties of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol?
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol has a molecular weight of 241.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol is sourced from PubChem (CID 136952313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).