5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C10H8F3N3O — CID 86806115

IUPAC5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CNc2nnc(C(F)F)o2)cc1
InChIInChI=1S/C10H8F3N3O/c11-7-3-1-6(2-4-7)5-14-10-16-15-9(17-10)8(12)13/h1-4,8H,5H2,(H,14,16)
InChIKeyITOUTIIHOPCSCE-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.76
Rot. Bonds4

About 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86806115) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86806115
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CNc2nnc(C(F)F)o2)cc1
InChIInChI=1S/C10H8F3N3O/c11-7-3-1-6(2-4-7)5-14-10-16-15-9(17-10)8(12)13/h1-4,8H,5H2,(H,14,16)
InChIKeyITOUTIIHOPCSCE-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72893335
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
N-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 84599321
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740621
N-[(4-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740622
2-N-benzyl-1,3,4-oxadiazole-2,5-diamine
CID 69341134
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97149374
5-(difluoromethyl)-N-[(5S)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-1,3,4-oxadiazol-2-amine
CID 164640894
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 141195043

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 86806115) is 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Fc1ccc(CNc2nnc(C(F)F)o2)cc1.
What is the InChIKey of 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ITOUTIIHOPCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-7-3-1-6(2-4-7)5-14-10-16-15-9(17-10)8(12)13/h1-4,8H,5H2,(H,14,16).
What are the key properties of 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 243.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86806115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).