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

C10H17N3O2 — CID 62138507

IUPACN-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(C2CCCO2)o1
InChIInChI=1S/C10H17N3O2/c1-7(2)11-6-9-12-13-10(15-9)8-4-3-5-14-8/h7-8,11H,3-6H2,1-2H3
InChIKeyIDPYPLFZXDETLT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds4

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

N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62138507) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62138507
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(C2CCCO2)o1
InChIInChI=1S/C10H17N3O2/c1-7(2)11-6-9-12-13-10(15-9)8-4-3-5-14-8/h7-8,11H,3-6H2,1-2H3
InChIKeyIDPYPLFZXDETLT-UHFFFAOYSA-N
XLogP1.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62138507) is N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(C2CCCO2)o1.
What is the InChIKey of N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is IDPYPLFZXDETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)11-6-9-12-13-10(15-9)8-4-3-5-14-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 211.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62138507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).