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

C18H16N2O2S — CID 20943667

IUPACN-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCC(NC(=O)c1noc2c1CCc1sccc1-2)c1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-11(12-5-3-2-4-6-12)19-18(21)16-14-7-8-15-13(9-10-23-15)17(14)22-20-16/h2-6,9-11H,7-8H2,1H3,(H,19,21)
InChIKeyDPXOEROMXSKPPS-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.99
Rot. Bonds3

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

N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943667) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943667
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCC(NC(=O)c1noc2c1CCc1sccc1-2)c1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-11(12-5-3-2-4-6-12)19-18(21)16-14-7-8-15-13(9-10-23-15)17(14)22-20-16/h2-6,9-11H,7-8H2,1H3,(H,19,21)
InChIKeyDPXOEROMXSKPPS-UHFFFAOYSA-N
XLogP3.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943667) is N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is CC(NC(=O)c1noc2c1CCc1sccc1-2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is DPXOEROMXSKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11(12-5-3-2-4-6-12)19-18(21)16-14-7-8-15-13(9-10-23-15)17(14)22-20-16/h2-6,9-11H,7-8H2,1H3,(H,19,21).
What are the key properties of N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).