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

C20H18N2O2S — CID 22516722

IUPACN-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCCN(C(=O)c1noc2c1CSc1ccccc1-2)c1ccccc1C
InChIInChI=1S/C20H18N2O2S/c1-3-22(16-10-6-4-8-13(16)2)20(23)18-15-12-25-17-11-7-5-9-14(17)19(15)24-21-18/h4-11H,3,12H2,1-2H3
InChIKeyDZWGOFJBLXHCRK-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.92
Rot. Bonds3

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

N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 22516722) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID22516722
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCCN(C(=O)c1noc2c1CSc1ccccc1-2)c1ccccc1C
InChIInChI=1S/C20H18N2O2S/c1-3-22(16-10-6-4-8-13(16)2)20(23)18-15-12-25-17-11-7-5-9-14(17)19(15)24-21-18/h4-11H,3,12H2,1-2H3
InChIKeyDZWGOFJBLXHCRK-UHFFFAOYSA-N
XLogP4.92
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 22516722) is N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is CCN(C(=O)c1noc2c1CSc1ccccc1-2)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is DZWGOFJBLXHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-3-22(16-10-6-4-8-13(16)2)20(23)18-15-12-25-17-11-7-5-9-14(17)19(15)24-21-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 22516722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).