N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C18H16N2O3S — CID 20943537

IUPACN-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1
InChIInChI=1S/C18H16N2O3S/c1-2-22-12-5-3-11(4-6-12)19-18(21)16-14-7-8-15-13(9-10-24-15)17(14)23-20-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,21)
InChIKeyNFMDKUSLBHCKDA-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.15
Rot. Bonds4

About N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943537) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943537
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1
InChIInChI=1S/C18H16N2O3S/c1-2-22-12-5-3-11(4-6-12)19-18(21)16-14-7-8-15-13(9-10-24-15)17(14)23-20-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,21)
InChIKeyNFMDKUSLBHCKDA-UHFFFAOYSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254536
N-(4-piperidin-1-ylsulfonylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943644
N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943667
N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 92724412
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2115172
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-methyl-N-phenyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943593
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943537) is N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is CCOc1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is NFMDKUSLBHCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-22-12-5-3-11(4-6-12)19-18(21)16-14-7-8-15-13(9-10-24-15)17(14)23-20-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).