4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide

C25H23N3O4S — CID 71509624

IUPAC4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCc4ccno4)s3)ccc2O1
InChIInChI=1S/C25H23N3O4S/c1-15-5-3-4-6-20(15)22-9-7-17-13-18(8-10-21(17)31-22)30-25-28-16(2)23(33-25)24(29)26-14-19-11-12-27-32-19/h3-6,8,10-13,22H,7,9,14H2,1-2H3,(H,26,29)
InChIKeyBZBQWHWPXBPLKE-UHFFFAOYSA-N
MW461.54 g/mol
LogP5.54
Rot. Bonds6

About 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 71509624) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID71509624
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCc4ccno4)s3)ccc2O1
InChIInChI=1S/C25H23N3O4S/c1-15-5-3-4-6-20(15)22-9-7-17-13-18(8-10-21(17)31-22)30-25-28-16(2)23(33-25)24(29)26-14-19-11-12-27-32-19/h3-6,8,10-13,22H,7,9,14H2,1-2H3,(H,26,29)
InChIKeyBZBQWHWPXBPLKE-UHFFFAOYSA-N
XLogP5.54
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
CID 71292827
1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292830
3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,2-oxazol-5-amine
CID 71292848
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 71292924
1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292947
1-(1,2-oxazol-5-yl)-N-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292954
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
CID 71292968
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
CID 71293010
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]propanamide
CID 71293031
1-(3-methyl-1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71293075
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
CID 71293228
Isoxazole-5-carboxylic acid [2-(2-o-tolyl-chroman-6-yloxy)-thiazol-5-ylmethyl]-amide
CID 71509623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide (CID 71509624) is 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCc4ccno4)s3)ccc2O1.
What is the InChIKey of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BZBQWHWPXBPLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-15-5-3-4-6-20(15)22-9-7-17-13-18(8-10-21(17)31-22)30-25-28-16(2)23(33-25)24(29)26-14-19-11-12-27-32-19/h3-6,8,10-13,22H,7,9,14H2,1-2H3,(H,26,29).
What are the key properties of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71509624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).