1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one

C15H19N5O2 — CID 45182259

IUPAC1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one
SMILESCC(C)c1noc(-c2ccc(N3CCNC(=O)CC3)nc2)n1
InChIInChI=1S/C15H19N5O2/c1-10(2)14-18-15(22-19-14)11-3-4-12(17-9-11)20-7-5-13(21)16-6-8-20/h3-4,9-10H,5-8H2,1-2H3,(H,16,21)
InChIKeyDATHYYRNNGMTRV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.58
Rot. Bonds3

About 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one

1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one (PubChem CID 45182259) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one
PubChem CID45182259
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one
SMILESCC(C)c1noc(-c2ccc(N3CCNC(=O)CC3)nc2)n1
InChIInChI=1S/C15H19N5O2/c1-10(2)14-18-15(22-19-14)11-3-4-12(17-9-11)20-7-5-13(21)16-6-8-20/h3-4,9-10H,5-8H2,1-2H3,(H,16,21)
InChIKeyDATHYYRNNGMTRV-UHFFFAOYSA-N
XLogP1.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one
CID 45200939
5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124823156
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 26402764
5-(6-piperazin-1-yl-3-pyridinyl)-3-propyl-1,2,4-oxadiazole
CID 56686529
[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 66828369
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133321766
1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
CID 45228116
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one (CID 45182259) is 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one is CC(C)c1noc(-c2ccc(N3CCNC(=O)CC3)nc2)n1.
What is the InChIKey of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one?
The InChIKey is DATHYYRNNGMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(2)14-18-15(22-19-14)11-3-4-12(17-9-11)20-7-5-13(21)16-6-8-20/h3-4,9-10H,5-8H2,1-2H3,(H,16,21).
What are the key properties of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one?
1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one has a molecular weight of 301.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one is sourced from PubChem (CID 45182259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).