5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine

C13H18N4O — CID 106968865

IUPAC5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCCc1ccc(Nc2nnc(CCN)o2)cc1
InChIInChI=1S/C13H18N4O/c1-2-3-10-4-6-11(7-5-10)15-13-17-16-12(18-13)8-9-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,17)
InChIKeyNCPWAMUZGZEWMM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.27
Rot. Bonds6

About 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968865) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968865
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCCc1ccc(Nc2nnc(CCN)o2)cc1
InChIInChI=1S/C13H18N4O/c1-2-3-10-4-6-11(7-5-10)15-13-17-16-12(18-13)8-9-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,17)
InChIKeyNCPWAMUZGZEWMM-UHFFFAOYSA-N
XLogP2.27
TPSA76.97 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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(chloromethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956629
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691
5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456217
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 110456641
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
N-(4-butylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956627
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106965102
5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 114209258

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine (CID 106968865) is 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine is CCCc1ccc(Nc2nnc(CCN)o2)cc1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NCPWAMUZGZEWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-3-10-4-6-11(7-5-10)15-13-17-16-12(18-13)8-9-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,17).
What are the key properties of 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).