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

C11H14N4O — CID 106968329

IUPAC5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(CN)o2)cc1
InChIInChI=1S/C11H14N4O/c1-8-2-4-9(5-3-8)7-13-11-15-14-10(6-12)16-11/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyMIVRUXHUZBQCCB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.45
Rot. Bonds4

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

5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968329) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968329
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(CN)o2)cc1
InChIInChI=1S/C11H14N4O/c1-8-2-4-9(5-3-8)7-13-11-15-14-10(6-12)16-11/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyMIVRUXHUZBQCCB-UHFFFAOYSA-N
XLogP1.45
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide
CID 72923330
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106962364
5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968307
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106968329) is 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(CNc2nnc(CN)o2)cc1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MIVRUXHUZBQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-2-4-9(5-3-8)7-13-11-15-14-10(6-12)16-11/h2-5H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).