N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine

C12H13F2N3O — CID 75498245

IUPACN-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCc2c(F)cccc2F)o1
InChIInChI=1S/C12H13F2N3O/c1-7(2)11-16-17-12(18-11)15-6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyHBIYHJPJLVGICP-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.08
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine

N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75498245) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75498245
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCc2c(F)cccc2F)o1
InChIInChI=1S/C12H13F2N3O/c1-7(2)11-16-17-12(18-11)15-6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyHBIYHJPJLVGICP-UHFFFAOYSA-N
XLogP3.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.08
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
3-[[[5-(2,2-Dimethylpropyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzonitrile
CID 75445995
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
5-(difluoromethyl)-N-[(5S)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-1,3,4-oxadiazol-2-amine
CID 164640894
5-(5,6-dihydro-3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 67149887

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 75498245) is N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is CC(C)c1nnc(NCc2c(F)cccc2F)o1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is HBIYHJPJLVGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7(2)11-16-17-12(18-11)15-6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 253.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).