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

C15H16N2O2S — CID 20943609

IUPACN-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C15H16N2O2S/c18-15(16-9-3-1-2-4-9)13-11-5-6-12-10(7-8-20-12)14(11)19-17-13/h7-9H,1-6H2,(H,16,18)
InChIKeyXWHPIMCIQZIJQU-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.17
Rot. Bonds2

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

N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943609) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943609
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C15H16N2O2S/c18-15(16-9-3-1-2-4-9)13-11-5-6-12-10(7-8-20-12)14(11)19-17-13/h7-9H,1-6H2,(H,16,18)
InChIKeyXWHPIMCIQZIJQU-UHFFFAOYSA-N
XLogP3.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427633
N-[2-(azepan-1-yl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943646
N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948522
N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943667
N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943537
N-cyclopentyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 53003547
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-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 92724412
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 20943520

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943609) is N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is O=C(NC1CCCC1)c1noc2c1CCc1sccc1-2.
What is the InChIKey of N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is XWHPIMCIQZIJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(16-9-3-1-2-4-9)13-11-5-6-12-10(7-8-20-12)14(11)19-17-13/h7-9H,1-6H2,(H,16,18).
What are the key properties of N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).