4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one

C20H17NO3S — CID 155884566

IUPAC4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one
SMILESCc1cc(C2=C(c3nc(-c4ccccc4)oc3C)COC2=O)c(C)s1
InChIInChI=1S/C20H17NO3S/c1-11-9-15(13(3)25-11)17-16(10-23-20(17)22)18-12(2)24-19(21-18)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyOTJHVEDFHOPTEF-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.80
Rot. Bonds3

About 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one

4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one (PubChem CID 155884566) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one
PubChem CID155884566
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one
SMILESCc1cc(C2=C(c3nc(-c4ccccc4)oc3C)COC2=O)c(C)s1
InChIInChI=1S/C20H17NO3S/c1-11-9-15(13(3)25-11)17-16(10-23-20(17)22)18-12(2)24-19(21-18)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyOTJHVEDFHOPTEF-UHFFFAOYSA-N
XLogP4.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one with MolForge

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Related Compounds

4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
CID 132991995
3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one
CID 102368110
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
3-methyl-4-phenyl-2H-furan-5-one
CID 576159
2,3-bis(2,5-dimethylthiophen-3-yl)-5-phenoxycyclopent-2-en-1-one
CID 71484943
5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole
CID 102458611
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
2-(2,5-diphenyl-1,3-oxazol-4-yl)-3-methylcyclohex-2-en-1-one
CID 162398173
ethane;methanesulfonic acid;5-methyl-2-phenyl-1,3-oxazol-4-ol
CID 87970462
5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-naphthalen-1-ylcyclopent-2-en-1-one
CID 71484654
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 24560242

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one (CID 155884566) is 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one is Cc1cc(C2=C(c3nc(-c4ccccc4)oc3C)COC2=O)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one?
The InChIKey is OTJHVEDFHOPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-11-9-15(13(3)25-11)17-16(10-23-20(17)22)18-12(2)24-19(21-18)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one?
4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one has a molecular weight of 351.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one is sourced from PubChem (CID 155884566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).