N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine

C5H9N3O — CID 88975148

IUPACN-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(C)o1
InChIInChI=1S/C5H9N3O/c1-3-6-5-8-7-4(2)9-5/h3H2,1-2H3,(H,6,8)
InChIKeyTUHQVKCLKSHJFU-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.81
Rot. Bonds2

About N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine

N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 88975148) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID88975148
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(C)o1
InChIInChI=1S/C5H9N3O/c1-3-6-5-8-7-4(2)9-5/h3H2,1-2H3,(H,6,8)
InChIKeyTUHQVKCLKSHJFU-UHFFFAOYSA-N
XLogP0.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-N-diethyl-1,3,4-oxadiazole-2,5-diamine
CID 21331377
3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile
CID 131154584
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]acetamide
CID 130618917
2,5-dimethyl-1,3,4-oxadiazole;propane
CID 143140950
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 126997706
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130735988
5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 131102213
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924783
2-amino-2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)butanamide
CID 21154901
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine (CID 88975148) is N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine is CCNc1nnc(C)o1.
What is the InChIKey of N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is TUHQVKCLKSHJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-6-5-8-7-4(2)9-5/h3H2,1-2H3,(H,6,8).
What are the key properties of N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine?
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 127.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 88975148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).