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

C14H20N4O — CID 106968331

IUPACN-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCc2ccc(C)cc2)o1
InChIInChI=1S/C14H20N4O/c1-3-8-15-10-13-17-18-14(19-13)16-9-12-6-4-11(2)5-7-12/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyADLFMPMNIPSDEZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.49
Rot. Bonds7

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

N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968331) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968331
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCc2ccc(C)cc2)o1
InChIInChI=1S/C14H20N4O/c1-3-8-15-10-13-17-18-14(19-13)16-9-12-6-4-11(2)5-7-12/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyADLFMPMNIPSDEZ-UHFFFAOYSA-N
XLogP2.49
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.49
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-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
N-(2-bromo-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963881
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963148
N-(2,6-dibromo-4-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966963
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106968331) is N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCc2ccc(C)cc2)o1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ADLFMPMNIPSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-8-15-10-13-17-18-14(19-13)16-9-12-6-4-11(2)5-7-12/h4-7,15H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).