5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C15H20N4O — CID 106967429

IUPAC5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(CNc2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C15H20N4O/c1-2-11-3-5-12(6-4-11)9-17-15-19-18-14(20-15)10-16-13-7-8-13/h3-6,13,16H,2,7-10H2,1H3,(H,17,19)
InChIKeyQOFQZJPRPRUMMZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967429) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967429
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(CNc2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C15H20N4O/c1-2-11-3-5-12(6-4-11)9-17-15-19-18-14(20-15)10-16-13-7-8-13/h3-6,13,16H,2,7-10H2,1H3,(H,17,19)
InChIKeyQOFQZJPRPRUMMZ-UHFFFAOYSA-N
XLogP2.50
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961019
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960831
5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971055
5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960617
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
2-[4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
CID 106969770
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 106963241
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106960357
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106967429) is 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CCc1ccc(CNc2nnc(CNC3CC3)o2)cc1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QOFQZJPRPRUMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-11-3-5-12(6-4-11)9-17-15-19-18-14(20-15)10-16-13-7-8-13/h3-6,13,16H,2,7-10H2,1H3,(H,17,19).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).