N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide

C16H19N3O4S — CID 166396035

IUPACN-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCCc1cscc1C(=O)N1CC(CNC(=O)c2c(C)o[nH]c2=O)C1
InChIInChI=1S/C16H19N3O4S/c1-3-11-7-24-8-12(11)16(22)19-5-10(6-19)4-17-14(20)13-9(2)23-18-15(13)21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQNTWCQZEPHDWQU-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.40
Rot. Bonds5

About N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide

N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide (PubChem CID 166396035) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
PubChem CID166396035
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCCc1cscc1C(=O)N1CC(CNC(=O)c2c(C)o[nH]c2=O)C1
InChIInChI=1S/C16H19N3O4S/c1-3-11-7-24-8-12(11)16(22)19-5-10(6-19)4-17-14(20)13-9(2)23-18-15(13)21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQNTWCQZEPHDWQU-UHFFFAOYSA-N
XLogP1.40
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide (CID 166396035) is N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide is CCc1cscc1C(=O)N1CC(CNC(=O)c2c(C)o[nH]c2=O)C1.
What is the InChIKey of N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is QNTWCQZEPHDWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-11-7-24-8-12(11)16(22)19-5-10(6-19)4-17-14(20)13-9(2)23-18-15(13)21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylthiophene-3-carbonyl)azetidin-3-yl]methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166396035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).