1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine

C6H10ClN3O — CID 84655414

IUPAC1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nnc(Cl)o1
InChIInChI=1S/C6H10ClN3O/c1-3(2)4(8)5-9-10-6(7)11-5/h3-4H,8H2,1-2H3
InChIKeyWKMDZMHXWFCXFW-UHFFFAOYSA-N
MW175.62 g/mol
LogP1.38
Rot. Bonds2

About 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine

1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine (PubChem CID 84655414) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
PubChem CID84655414
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nnc(Cl)o1
InChIInChI=1S/C6H10ClN3O/c1-3(2)4(8)5-9-10-6(7)11-5/h3-4H,8H2,1-2H3
InChIKeyWKMDZMHXWFCXFW-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine (CID 84655414) is 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1nnc(Cl)o1.
What is the InChIKey of 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is WKMDZMHXWFCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-3(2)4(8)5-9-10-6(7)11-5/h3-4H,8H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine?
1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 175.62 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 84655414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).