1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C11H11F2N3O — CID 114182980

IUPAC1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESFC(F)c1ccc(CNCc2ncon2)cc1
InChIInChI=1S/C11H11F2N3O/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-15-7-17-16-10/h1-4,7,11,14H,5-6H2
InChIKeyKDZTYHKQGULBAB-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.30
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 114182980) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID114182980
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESFC(F)c1ccc(CNCc2ncon2)cc1
InChIInChI=1S/C11H11F2N3O/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-15-7-17-16-10/h1-4,7,11,14H,5-6H2
InChIKeyKDZTYHKQGULBAB-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
CID 106392234
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392778
1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114183090
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
CID 106392638
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 106393002
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 114182980) is 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is FC(F)c1ccc(CNCc2ncon2)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is KDZTYHKQGULBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-15-7-17-16-10/h1-4,7,11,14H,5-6H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 239.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 114182980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).