1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one

C17H15N5O4S — CID 71794628

IUPAC1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESCOCCc1noc(Cn2cccc(-c3nc(-c4ccsc4)no3)c2=O)n1
InChIInChI=1S/C17H15N5O4S/c1-24-7-4-13-18-14(25-20-13)9-22-6-2-3-12(17(22)23)16-19-15(21-26-16)11-5-8-27-10-11/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyIQVRQVVNANYBQD-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.25
Rot. Bonds7

About 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one

1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one (PubChem CID 71794628) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one
PubChem CID71794628
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC Name1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESCOCCc1noc(Cn2cccc(-c3nc(-c4ccsc4)no3)c2=O)n1
InChIInChI=1S/C17H15N5O4S/c1-24-7-4-13-18-14(25-20-13)9-22-6-2-3-12(17(22)23)16-19-15(21-26-16)11-5-8-27-10-11/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyIQVRQVVNANYBQD-UHFFFAOYSA-N
XLogP2.25
TPSA109.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one with MolForge

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 71794653
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 71794616
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
CID 62596162
3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 114761369
(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 33078666
1-propyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 8627216
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
CID 72941227
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 17407844
5,6-dimethyl-3-oxo-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9309213
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 17392838

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The IUPAC name of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one (CID 71794628) is 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one is COCCc1noc(Cn2cccc(-c3nc(-c4ccsc4)no3)c2=O)n1.
What is the InChIKey of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The InChIKey is IQVRQVVNANYBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-24-7-4-13-18-14(25-20-13)9-22-6-2-3-12(17(22)23)16-19-15(21-26-16)11-5-8-27-10-11/h2-3,5-6,8,10H,4,7,9H2,1H3.
What are the key properties of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one has a molecular weight of 385.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one is sourced from PubChem (CID 71794628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).