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

C13H18N4O — CID 106968322

IUPACN-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cccc(Nc2nnc(C(C)NC)o2)c1
InChIInChI=1S/C13H18N4O/c1-4-10-6-5-7-11(8-10)15-13-17-16-12(18-13)9(2)14-3/h5-9,14H,4H2,1-3H3,(H,15,17)
InChIKeyUURVBROYLMYJLY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.66
Rot. Bonds5

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

N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968322) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968322
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cccc(Nc2nnc(C(C)NC)o2)c1
InChIInChI=1S/C13H18N4O/c1-4-10-6-5-7-11(8-10)15-13-17-16-12(18-13)9(2)14-3/h5-9,14H,4H2,1-3H3,(H,15,17)
InChIKeyUURVBROYLMYJLY-UHFFFAOYSA-N
XLogP2.66
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966724
N-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959404
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966965
N-(3-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968324
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106960252
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
N-(2,3-dihydro-1H-inden-5-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966784
N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107618278
2-N-(3-ethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884819
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106968322) is N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCc1cccc(Nc2nnc(C(C)NC)o2)c1.
What is the InChIKey of N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UURVBROYLMYJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-10-6-5-7-11(8-10)15-13-17-16-12(18-13)9(2)14-3/h5-9,14H,4H2,1-3H3,(H,15,17).
What are the key properties of N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).