5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 106966724

IUPAC5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H20N4O/c1-9(2)11-5-7-12(8-6-11)16-14-18-17-13(19-14)10(3)15-4/h5-10,15H,1-4H3,(H,16,18)
InChIKeyVLAJZNUEQBLZIB-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.22
Rot. Bonds5

About 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966724) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966724
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H20N4O/c1-9(2)11-5-7-12(8-6-11)16-14-18-17-13(19-14)10(3)15-4/h5-10,15H,1-4H3,(H,16,18)
InChIKeyVLAJZNUEQBLZIB-UHFFFAOYSA-N
XLogP3.22
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-chloroethyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106959040
N-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959404
5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine
CID 106962724
2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436488
N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968322
N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966965
N-(2-chloro-5-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532092
N-(3-bromo-5-methoxyphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963987
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine (CID 106966724) is 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(Nc2ccc(C(C)C)cc2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VLAJZNUEQBLZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)11-5-7-12(8-6-11)16-14-18-17-13(19-14)10(3)15-4/h5-10,15H,1-4H3,(H,16,18).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).