2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one

C15H19N5O3 — CID 133447507

IUPAC2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1noc(-c2ccnc(NC(C)C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C15H19N5O3/c1-10(15(21)20-5-7-22-8-6-20)17-13-9-12(3-4-16-13)14-18-11(2)19-23-14/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeySJPKXXGFAIAIEB-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.10
Rot. Bonds4

About 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one

2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 133447507) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID133447507
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1noc(-c2ccnc(NC(C)C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C15H19N5O3/c1-10(15(21)20-5-7-22-8-6-20)17-13-9-12(3-4-16-13)14-18-11(2)19-23-14/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeySJPKXXGFAIAIEB-UHFFFAOYSA-N
XLogP1.10
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one (CID 133447507) is 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one is Cc1noc(-c2ccnc(NC(C)C(=O)N3CCOCC3)c2)n1.
What is the InChIKey of 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is SJPKXXGFAIAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10(15(21)20-5-7-22-8-6-20)17-13-9-12(3-4-16-13)14-18-11(2)19-23-14/h3-4,9-10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one?
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 317.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 133447507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).