2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine

C9H15N3O2 — CID 103581786

IUPAC2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCc1ncno1
InChIInChI=1S/C9H15N3O2/c1-7-8(3-5-13-7)10-4-2-9-11-6-12-14-9/h6-8,10H,2-5H2,1H3
InChIKeyIIXJMVYJACJDHP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.38
Rot. Bonds4

About 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine

2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine (PubChem CID 103581786) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine
PubChem CID103581786
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCc1ncno1
InChIInChI=1S/C9H15N3O2/c1-7-8(3-5-13-7)10-4-2-9-11-6-12-14-9/h6-8,10H,2-5H2,1H3
InChIKeyIIXJMVYJACJDHP-UHFFFAOYSA-N
XLogP0.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine (CID 103581786) is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine is CC1OCCC1NCCc1ncno1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine?
The InChIKey is IIXJMVYJACJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-8(3-5-13-7)10-4-2-9-11-6-12-14-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine?
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 103581786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).