N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C14H16N2O2S — CID 20943516

IUPACN-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C14H16N2O2S/c1-3-8(2)15-14(17)12-10-4-5-11-9(6-7-19-11)13(10)18-16-12/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyOJJPBZPXFPVDEI-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.03
Rot. Bonds3

About N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943516) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943516
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C14H16N2O2S/c1-3-8(2)15-14(17)12-10-4-5-11-9(6-7-19-11)13(10)18-16-12/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyOJJPBZPXFPVDEI-UHFFFAOYSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(azepan-1-yl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943646
N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943537
N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943609
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943684
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943610
N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
N-methyl-N-phenyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943593
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
N-(4-piperidin-1-ylsulfonylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943644

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943516) is N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is CCC(C)NC(=O)c1noc2c1CCc1sccc1-2.
What is the InChIKey of N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is OJJPBZPXFPVDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-8(2)15-14(17)12-10-4-5-11-9(6-7-19-11)13(10)18-16-12/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).