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

C19H18N2O2S — CID 20943550

IUPACN-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1
InChIInChI=1S/C19H18N2O2S/c1-11(2)12-3-5-13(6-4-12)20-19(22)17-15-7-8-16-14(9-10-24-16)18(15)23-21-17/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)
InChIKeyLBLXTRVIKNEYPL-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.88
Rot. Bonds3

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

N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943550) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943550
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1
InChIInChI=1S/C19H18N2O2S/c1-11(2)12-3-5-13(6-4-12)20-19(22)17-15-7-8-16-14(9-10-24-16)18(15)23-21-17/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)
InChIKeyLBLXTRVIKNEYPL-UHFFFAOYSA-N
XLogP4.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943537
N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943667
N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516703
N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943514
N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943609
N-[2-(azepan-1-yl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943646
N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 92724412
N-methyl-N-phenyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943593
N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943550) is N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is CC(C)c1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is LBLXTRVIKNEYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-11(2)12-3-5-13(6-4-12)20-19(22)17-15-7-8-16-14(9-10-24-16)18(15)23-21-17/h3-6,9-11H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).