N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C24H20N2O4S — CID 20877835

IUPACN-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3cc4c(s3)-c3c(C)cccc3OC4)on2)cc1
InChIInChI=1S/C24H20N2O4S/c1-3-28-17-9-7-15(8-10-17)18-12-21(30-26-18)25-24(27)20-11-16-13-29-19-6-4-5-14(2)22(19)23(16)31-20/h4-12H,3,13H2,1-2H3,(H,25,27)
InChIKeyRXJADOSVEZGZMS-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.92
Rot. Bonds5

About N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877835) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877835
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3cc4c(s3)-c3c(C)cccc3OC4)on2)cc1
InChIInChI=1S/C24H20N2O4S/c1-3-28-17-9-7-15(8-10-17)18-12-21(30-26-18)25-24(27)20-11-16-13-29-19-6-4-5-14(2)22(19)23(16)31-20/h4-12H,3,13H2,1-2H3,(H,25,27)
InChIKeyRXJADOSVEZGZMS-UHFFFAOYSA-N
XLogP5.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877835) is N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is CCOc1ccc(-c2cc(NC(=O)c3cc4c(s3)-c3c(C)cccc3OC4)on2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is RXJADOSVEZGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-3-28-17-9-7-15(8-10-17)18-12-21(30-26-18)25-24(27)20-11-16-13-29-19-6-4-5-14(2)22(19)23(16)31-20/h4-12H,3,13H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).