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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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).