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

C13H18N4O — CID 106969546

IUPAC5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCc2cccc(C)c2)o1
InChIInChI=1S/C13H18N4O/c1-3-14-9-12-16-17-13(18-12)15-8-11-6-4-5-10(2)7-11/h4-7,14H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyOCJAEYQVMNEWHF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.10
Rot. Bonds6

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

5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969546) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969546
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCc2cccc(C)c2)o1
InChIInChI=1S/C13H18N4O/c1-3-14-9-12-16-17-13(18-12)15-8-11-6-4-5-10(2)7-11/h4-7,14H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyOCJAEYQVMNEWHF-UHFFFAOYSA-N
XLogP2.10
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969544
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960288
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963515
5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106971403
5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine
CID 137335056
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498272
5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964891

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106969546) is 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NCc2cccc(C)c2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OCJAEYQVMNEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-14-9-12-16-17-13(18-12)15-8-11-6-4-5-10(2)7-11/h4-7,14H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).