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

C16H24N4O — CID 106960288

IUPACN-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(CCNc2nnc(CNCC(C)C)o2)c1
InChIInChI=1S/C16H24N4O/c1-12(2)10-17-11-15-19-20-16(21-15)18-8-7-14-6-4-5-13(3)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyZVXJLFRYIWVWJO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.78
Rot. Bonds8

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

N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960288) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960288
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(CCNc2nnc(CNCC(C)C)o2)c1
InChIInChI=1S/C16H24N4O/c1-12(2)10-17-11-15-19-20-16(21-15)18-8-7-14-6-4-5-13(3)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyZVXJLFRYIWVWJO-UHFFFAOYSA-N
XLogP2.78
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.78
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
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969194
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N-(3,4-dimethylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967271
5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
N-[(2-fluorophenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968171
N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966235
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106960288) is N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1cccc(CCNc2nnc(CNCC(C)C)o2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZVXJLFRYIWVWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)10-17-11-15-19-20-16(21-15)18-8-7-14-6-4-5-13(3)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).