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

C14H20N4O — CID 106968856

IUPAC5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCc1ccc(Nc2nnc(CCN)o2)cc1
InChIInChI=1S/C14H20N4O/c1-2-3-4-11-5-7-12(8-6-11)16-14-18-17-13(19-14)9-10-15/h5-8H,2-4,9-10,15H2,1H3,(H,16,18)
InChIKeyXFBQLAJWMSYZNF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.66
Rot. Bonds7

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

5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968856) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968856
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCc1ccc(Nc2nnc(CCN)o2)cc1
InChIInChI=1S/C14H20N4O/c1-2-3-4-11-5-7-12(8-6-11)16-14-18-17-13(19-14)9-10-15/h5-8H,2-4,9-10,15H2,1H3,(H,16,18)
InChIKeyXFBQLAJWMSYZNF-UHFFFAOYSA-N
XLogP2.66
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
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
N-(4-butylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956627
5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 110456641
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
N-(4-butylphenyl)-5-chloro-1,3-benzoxazol-2-amine
CID 2108047
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-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
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine (CID 106968856) is 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine is CCCCc1ccc(Nc2nnc(CCN)o2)cc1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XFBQLAJWMSYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-3-4-11-5-7-12(8-6-11)16-14-18-17-13(19-14)9-10-15/h5-8H,2-4,9-10,15H2,1H3,(H,16,18).
What are the key properties of 5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.66, 7 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-butylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).