2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one

C19H12FNO3S — CID 1206155

IUPAC2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1
InChIInChI=1S/C19H12FNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyOTOLGUXKDPAKJB-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.73
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one

2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 1206155) has the molecular formula C19H12FNO3S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID1206155
Molecular FormulaC19H12FNO3S
Molecular Weight353.37 g/mol
Exact Mass353.05
IUPAC Name2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1
InChIInChI=1S/C19H12FNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyOTOLGUXKDPAKJB-UHFFFAOYSA-N
XLogP4.73
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 727641
Benzyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009752
2-(2-Fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone
CID 947436
Ethyl 2-amino-4-(2-fluoro-4-methoxyphenyl)thiophene-3-carboxylate
CID 71009786
Ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1082742
5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1082744
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1206154
5-(3,4-Dimethoxyphenyl)-2-(4-methylphenyl)-4-thieno[2,3-d][1,3]oxazinone
CID 1206972
Methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate
CID 712407
2-(2-Fluorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 828421
Ethyl 2-amino-5-(4-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10684992

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 1206155) is 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is COc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is OTOLGUXKDPAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 353.37 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 1206155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).