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

C16H24N4O — CID 106961805

IUPACN-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)CCc2ccccc2)o1
InChIInChI=1S/C16H24N4O/c1-4-11-17-13(2)15-18-19-16(21-15)20(3)12-10-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3
InChIKeyKHXMJRQMNKJNJC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.81
Rot. Bonds8

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

N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961805) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961805
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)CCc2ccccc2)o1
InChIInChI=1S/C16H24N4O/c1-4-11-17-13(2)15-18-19-16(21-15)20(3)12-10-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3
InChIKeyKHXMJRQMNKJNJC-UHFFFAOYSA-N
XLogP2.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966906
2-[benzyl-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106960309
N,2-dimethyl-3-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106967445
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
N-ethyl-5-[1-(ethylamino)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967971
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959489
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
1-[[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]cyclopentan-1-ol
CID 106965603
N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960112

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106961805) is N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(N(C)CCc2ccccc2)o1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KHXMJRQMNKJNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-11-17-13(2)15-18-19-16(21-15)20(3)12-10-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).