N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C16H19N3O5S — CID 110391704

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2ccccc2OC)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O5S/c1-3-19(11-8-9-25(21,22)10-11)16(20)15-18-17-14(24-15)12-6-4-5-7-13(12)23-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyVJGOFWGVZASXMU-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.39
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391704) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391704
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2ccccc2OC)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O5S/c1-3-19(11-8-9-25(21,22)10-11)16(20)15-18-17-14(24-15)12-6-4-5-7-13(12)23-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyVJGOFWGVZASXMU-UHFFFAOYSA-N
XLogP1.39
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392652
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CID 18155646
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976178
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-methoxybenzamide
CID 7123322
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methoxy-4-propan-2-ylbenzamide
CID 110762934
N-ethyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651991
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7683099
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CID 16536588
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123703
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899906
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391704) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is CCN(C(=O)c1nnc(-c2ccccc2OC)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VJGOFWGVZASXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-3-19(11-8-9-25(21,22)10-11)16(20)15-18-17-14(24-15)12-6-4-5-7-13(12)23-2/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).