N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

C12H13N5O3 — CID 142689694

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1nnco1
InChIInChI=1S/C12H13N5O3/c18-11(12-16-14-8-20-12)15-9-1-2-10(13-7-9)17-3-5-19-6-4-17/h1-2,7-8H,3-6H2,(H,15,18)
InChIKeyGVUYFNDRAQWBRA-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.55
Rot. Bonds3

About N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 142689694) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID142689694
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1nnco1
InChIInChI=1S/C12H13N5O3/c18-11(12-16-14-8-20-12)15-9-1-2-10(13-7-9)17-3-5-19-6-4-17/h1-2,7-8H,3-6H2,(H,15,18)
InChIKeyGVUYFNDRAQWBRA-UHFFFAOYSA-N
XLogP0.55
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (CID 142689694) is N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1nnco1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GVUYFNDRAQWBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-11(12-16-14-8-20-12)15-9-1-2-10(13-7-9)17-3-5-19-6-4-17/h1-2,7-8H,3-6H2,(H,15,18).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 142689694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).