1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one

C14H19N3O3S — CID 82524029

IUPAC1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
SMILESCOCCCn1c(C(C)C)ccc(-c2n[nH]c(=S)o2)c1=O
InChIInChI=1S/C14H19N3O3S/c1-9(2)11-6-5-10(12-15-16-14(21)20-12)13(18)17(11)7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,21)
InChIKeyYDBIWWAAGFABGC-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.72
Rot. Bonds6

About 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one

1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one (PubChem CID 82524029) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
PubChem CID82524029
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
SMILESCOCCCn1c(C(C)C)ccc(-c2n[nH]c(=S)o2)c1=O
InChIInChI=1S/C14H19N3O3S/c1-9(2)11-6-5-10(12-15-16-14(21)20-12)13(18)17(11)7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,21)
InChIKeyYDBIWWAAGFABGC-UHFFFAOYSA-N
XLogP2.72
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-1-(2-methylpropyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82523649
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
CID 82524040
6-propan-2-yl-2-propyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443294
2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044
1-(2-methylpropyl)-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-propan-2-ylpyridin-2-one
CID 82524290
3-[4-(2-methoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524576
1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82527091
3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one
CID 82524073
6-methyl-1-(oxolan-2-ylmethyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82524678
1-ethyl-6-propan-2-yl-3-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
CID 82524513
2-butyl-6-tert-butyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443714
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one (CID 82524029) is 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one is COCCCn1c(C(C)C)ccc(-c2n[nH]c(=S)o2)c1=O.
What is the InChIKey of 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
The InChIKey is YDBIWWAAGFABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)11-6-5-10(12-15-16-14(21)20-12)13(18)17(11)7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,21).
What are the key properties of 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one has a molecular weight of 309.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one is sourced from PubChem (CID 82524029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).