N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C15H21FN4O — CID 106963148

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCCc2ccc(F)cc2C)o1
InChIInChI=1S/C15H21FN4O/c1-3-7-17-10-14-19-20-15(21-14)18-8-6-12-4-5-13(16)9-11(12)2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,20)
InChIKeyROMSZQJGYFZEJO-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.67
Rot. Bonds8

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

N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963148) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963148
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCCc2ccc(F)cc2C)o1
InChIInChI=1S/C15H21FN4O/c1-3-7-17-10-14-19-20-15(21-14)18-8-6-12-4-5-13(16)9-11(12)2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,20)
InChIKeyROMSZQJGYFZEJO-UHFFFAOYSA-N
XLogP2.67
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.67
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

5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
N-(2-bromo-4-fluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968419
N-(4-fluoro-3-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960566
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965056
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490
N-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139410
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362741
N-[[5-(4-fluoro-2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 113400409
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106963148) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCCc2ccc(F)cc2C)o1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ROMSZQJGYFZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-3-7-17-10-14-19-20-15(21-14)18-8-6-12-4-5-13(16)9-11(12)2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).