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

C16H24N4O — CID 106966906

IUPACN-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(CC)c2ccccc2C)o1
InChIInChI=1S/C16H24N4O/c1-5-11-17-13(4)15-18-19-16(21-15)20(6-2)14-10-8-7-9-12(14)3/h7-10,13,17H,5-6,11H2,1-4H3
InChIKeyCXHCXQIFSIEUQK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.60
Rot. Bonds7

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

N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966906) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966906
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(CC)c2ccccc2C)o1
InChIInChI=1S/C16H24N4O/c1-5-11-17-13(4)15-18-19-16(21-15)20(6-2)14-10-8-7-9-12(14)3/h7-10,13,17H,5-6,11H2,1-4H3
InChIKeyCXHCXQIFSIEUQK-UHFFFAOYSA-N
XLogP3.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966903
N-ethyl-5-[1-(ethylamino)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967971
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966902
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
N-ethyl-N-(1-methoxypropan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969951
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
N-[1-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62164794
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959782
2-[ethyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106971179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106966906) is N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(N(CC)c2ccccc2C)o1.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CXHCXQIFSIEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-11-17-13(4)15-18-19-16(21-15)20(6-2)14-10-8-7-9-12(14)3/h7-10,13,17H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).