N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine

C7H13N3O — CID 106393015

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ncon1
InChIInChI=1S/C7H13N3O/c1-3-6(2)8-4-7-9-5-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyHPLVLEIUUDAVCG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine (PubChem CID 106393015) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine
PubChem CID106393015
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ncon1
InChIInChI=1S/C7H13N3O/c1-3-6(2)8-4-7-9-5-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyHPLVLEIUUDAVCG-UHFFFAOYSA-N
XLogP0.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine (CID 106393015) is N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine is CCC(C)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine?
The InChIKey is HPLVLEIUUDAVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-6(2)8-4-7-9-5-11-10-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine has a molecular weight of 155.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 106393015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).