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

C9H15N3O2 — CID 131631949

IUPAC2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC(C)c1noc(C2OCCC2N)n1
InChIInChI=1S/C9H15N3O2/c1-5(2)8-11-9(14-12-8)7-6(10)3-4-13-7/h5-7H,3-4,10H2,1-2H3
InChIKeyWKVSESJTAWGILR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.98
Rot. Bonds2

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

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 131631949) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID131631949
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC(C)c1noc(C2OCCC2N)n1
InChIInChI=1S/C9H15N3O2/c1-5(2)8-11-9(14-12-8)7-6(10)3-4-13-7/h5-7H,3-4,10H2,1-2H3
InChIKeyWKVSESJTAWGILR-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 131631949) is 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CC(C)c1noc(C2OCCC2N)n1.
What is the InChIKey of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is WKVSESJTAWGILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)8-11-9(14-12-8)7-6(10)3-4-13-7/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 131631949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).