1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

C12H15ClN4O — CID 66472670

IUPAC1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(-c2ccncc2Cl)n1
InChIInChI=1S/C12H15ClN4O/c1-12(2,3)9(14)10-16-11(18-17-10)7-4-5-15-6-8(7)13/h4-6,9H,14H2,1-3H3
InChIKeyITULGUBZOAMJMV-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.83
Rot. Bonds2

About 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 66472670) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID66472670
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(-c2ccncc2Cl)n1
InChIInChI=1S/C12H15ClN4O/c1-12(2,3)9(14)10-16-11(18-17-10)7-4-5-15-6-8(7)13/h4-6,9H,14H2,1-3H3
InChIKeyITULGUBZOAMJMV-UHFFFAOYSA-N
XLogP2.83
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 66472670) is 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1noc(-c2ccncc2Cl)n1.
What is the InChIKey of 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is ITULGUBZOAMJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-12(2,3)9(14)10-16-11(18-17-10)7-4-5-15-6-8(7)13/h4-6,9H,14H2,1-3H3.
What are the key properties of 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 266.73 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 66472670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).