N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C13H17FN4O — CID 106965056

IUPACN-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(Nc2c(C)cccc2F)o1
InChIInChI=1S/C13H17FN4O/c1-3-7-15-8-11-17-18-13(19-11)16-12-9(2)5-4-6-10(12)14/h4-6,15H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCYSIFAOLKBPPOC-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.76
Rot. Bonds6

About N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965056) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106965056
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(Nc2c(C)cccc2F)o1
InChIInChI=1S/C13H17FN4O/c1-3-7-15-8-11-17-18-13(19-11)16-12-9(2)5-4-6-10(12)14/h4-6,15H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCYSIFAOLKBPPOC-UHFFFAOYSA-N
XLogP2.76
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968469
N-(4-fluoro-3-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960566
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
N-(2,6-dibromo-4-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966963
N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963687
N-(2-bromo-4-fluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968419
5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968307
N-(4-bromo-2,5-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107608662
N-[[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81461380
N-(3-chloro-5-fluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107371371
N-(2-bromo-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963881

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106965056) is N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(Nc2c(C)cccc2F)o1.
What is the InChIKey of N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CYSIFAOLKBPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-3-7-15-8-11-17-18-13(19-11)16-12-9(2)5-4-6-10(12)14/h4-6,15H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).