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

C11H13ClN4O — CID 66473095

IUPAC1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(-c2ccncc2Cl)o1
InChIInChI=1S/C11H13ClN4O/c1-3-9(13-2)11-16-15-10(17-11)7-4-5-14-6-8(7)12/h4-6,9,13H,3H2,1-2H3
InChIKeyCQGXXRQPMKFHCS-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.46
Rot. Bonds4

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

1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 66473095) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID66473095
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(-c2ccncc2Cl)o1
InChIInChI=1S/C11H13ClN4O/c1-3-9(13-2)11-16-15-10(17-11)7-4-5-14-6-8(7)12/h4-6,9,13H,3H2,1-2H3
InChIKeyCQGXXRQPMKFHCS-UHFFFAOYSA-N
XLogP2.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.46
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)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 66473095) is 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CCC(NC)c1nnc(-c2ccncc2Cl)o1.
What is the InChIKey of 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is CQGXXRQPMKFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-9(13-2)11-16-15-10(17-11)7-4-5-14-6-8(7)12/h4-6,9,13H,3H2,1-2H3.
What are the key properties of 1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 252.70 g/mol, XLogP of 2.46, 4 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)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 66473095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).