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

C18H10FNO2S — CID 947436

IUPAC2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H10FNO2S/c19-14-9-5-4-8-12(14)16-20-17-15(18(21)22-16)13(10-23-17)11-6-2-1-3-7-11/h1-10H
InChIKeyBNUXVRXTVBPVAC-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.72
Rot. Bonds2

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

2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 947436) has the molecular formula C18H10FNO2S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID947436
Molecular FormulaC18H10FNO2S
Molecular Weight323.35 g/mol
Exact Mass323.04
IUPAC Name2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H10FNO2S/c19-14-9-5-4-8-12(14)16-20-17-15(18(21)22-16)13(10-23-17)11-6-2-1-3-7-11/h1-10H
InChIKeyBNUXVRXTVBPVAC-UHFFFAOYSA-N
XLogP4.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
5-(2,4-Dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 915989
6-methyl-2-(3-methylphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 950065
2-Methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 804822
2-(2-Fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
CID 876961
Methyl 2-amino-4-(4-fluorophenyl)-3-thiophenecarboxylate
CID 712401
Methyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 874714
Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 613091
2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1206155
(E)-ethyl 2-(((dimethylamino)methylene)amino)-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 9670476
5,6-Dimethyl-2-phenyl-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 569471

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one (CID 947436) is 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2F)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is BNUXVRXTVBPVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FNO2S/c19-14-9-5-4-8-12(14)16-20-17-15(18(21)22-16)13(10-23-17)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one?
2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 323.35 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-phenylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 947436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).