N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C16H24N4O — CID 106960360

IUPACN-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC(CC)c2ccccc2)o1
InChIInChI=1S/C16H24N4O/c1-4-11-17-12(3)15-19-20-16(21-15)18-14(5-2)13-9-7-6-8-10-13/h6-10,12,14,17H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyWZTUGDRLABNJQO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.69
Rot. Bonds8

About N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960360) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960360
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC(CC)c2ccccc2)o1
InChIInChI=1S/C16H24N4O/c1-4-11-17-12(3)15-19-20-16(21-15)18-14(5-2)13-9-7-6-8-10-13/h6-10,12,14,17H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyWZTUGDRLABNJQO-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962103
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962643
N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960756
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106960357
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960360) is N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NC(CC)c2ccccc2)o1.
What is the InChIKey of N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WZTUGDRLABNJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-11-17-12(3)15-19-20-16(21-15)18-14(5-2)13-9-7-6-8-10-13/h6-10,12,14,17H,4-5,11H2,1-3H3,(H,18,20).
What are the key properties of N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).