7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one

C19H16N2O4S — CID 137250190

IUPAC7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one
SMILESCc1csc(-c2c(C)noc2-c2cc3c(C)cc(=O)oc3c(C)c2O)n1
InChIInChI=1S/C19H16N2O4S/c1-8-5-14(22)24-17-10(3)16(23)13(6-12(8)17)18-15(11(4)21-25-18)19-20-9(2)7-26-19/h5-7,23H,1-4H3
InChIKeyJORHCYCSBSUAPX-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.51
Rot. Bonds2

About 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one

7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one (PubChem CID 137250190) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one
PubChem CID137250190
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one
SMILESCc1csc(-c2c(C)noc2-c2cc3c(C)cc(=O)oc3c(C)c2O)n1
InChIInChI=1S/C19H16N2O4S/c1-8-5-14(22)24-17-10(3)16(23)13(6-12(8)17)18-15(11(4)21-25-18)19-20-9(2)7-26-19/h5-7,23H,1-4H3
InChIKeyJORHCYCSBSUAPX-UHFFFAOYSA-N
XLogP4.51
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one
CID 15896028
8-[(benzylamino)methyl]-7-hydroxy-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 134159715
7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
CID 122537803
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 163716006
6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135471441
6,8-dichloro-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 780522
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
6-ethyl-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 102598102
7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one
CID 5418018
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18166340

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one?
The IUPAC name of 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one (CID 137250190) is 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one is Cc1csc(-c2c(C)noc2-c2cc3c(C)cc(=O)oc3c(C)c2O)n1.
What is the InChIKey of 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one?
The InChIKey is JORHCYCSBSUAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-8-5-14(22)24-17-10(3)16(23)13(6-12(8)17)18-15(11(4)21-25-18)19-20-9(2)7-26-19/h5-7,23H,1-4H3.
What are the key properties of 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one?
7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one has a molecular weight of 368.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one is sourced from PubChem (CID 137250190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).