3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C9H15N3O2 — CID 64889791

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC(C)c1noc(C2(N)CCOC2)n1
InChIInChI=1S/C9H15N3O2/c1-6(2)7-11-8(14-12-7)9(10)3-4-13-5-9/h6H,3-5,10H2,1-2H3
InChIKeySAESOJNKHNSUHY-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.77
Rot. Bonds2

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 64889791) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID64889791
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC(C)c1noc(C2(N)CCOC2)n1
InChIInChI=1S/C9H15N3O2/c1-6(2)7-11-8(14-12-7)9(10)3-4-13-5-9/h6H,3-5,10H2,1-2H3
InChIKeySAESOJNKHNSUHY-UHFFFAOYSA-N
XLogP0.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 103146146
CID 103146146

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 64889791) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CC(C)c1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is SAESOJNKHNSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)7-11-8(14-12-7)9(10)3-4-13-5-9/h6H,3-5,10H2,1-2H3.
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 64889791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).