N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

C20H18N2O2S — CID 22516703

IUPACN-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2noc3c2CSc2ccccc2-3)cc1
InChIInChI=1S/C20H18N2O2S/c1-12(2)13-7-9-14(10-8-13)21-20(23)18-16-11-25-17-6-4-3-5-15(17)19(16)24-22-18/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyGQKJSDZDZAQMDI-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.32
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 22516703) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID22516703
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2noc3c2CSc2ccccc2-3)cc1
InChIInChI=1S/C20H18N2O2S/c1-12(2)13-7-9-14(10-8-13)21-20(23)18-16-11-25-17-6-4-3-5-15(17)19(16)24-22-18/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyGQKJSDZDZAQMDI-UHFFFAOYSA-N
XLogP5.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943550
N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516722
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427636
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
CID 167989756
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 22516703) is N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is CC(C)c1ccc(NC(=O)c2noc3c2CSc2ccccc2-3)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is GQKJSDZDZAQMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-12(2)13-7-9-14(10-8-13)21-20(23)18-16-11-25-17-6-4-3-5-15(17)19(16)24-22-18/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 5.32, 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)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 22516703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).