2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one

C19H13FN2O3S — CID 71021490

IUPAC2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccc(Oc3cccc(CF)c3)cc2)nc2sccc12
InChIInChI=1S/C19H13FN2O3S/c20-11-12-2-1-3-15(10-12)24-14-6-4-13(5-7-14)21-19-22-17-16(8-9-26-17)18(23)25-19/h1-10H,11H2,(H,21,22)
InChIKeySIBTXOPKTIWJEG-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.25
Rot. Bonds5

About 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one

2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 71021490) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one
PubChem CID71021490
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC Name2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccc(Oc3cccc(CF)c3)cc2)nc2sccc12
InChIInChI=1S/C19H13FN2O3S/c20-11-12-2-1-3-15(10-12)24-14-6-4-13(5-7-14)21-19-22-17-16(8-9-26-17)18(23)25-19/h1-10H,11H2,(H,21,22)
InChIKeySIBTXOPKTIWJEG-UHFFFAOYSA-N
XLogP5.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 59767735
2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
CID 18762620
2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68979734
2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide
CID 69027073
2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68977440
2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one
CID 69026444
2-(hexadecylamino)thieno[2,3-d][1,3]oxazin-4-one
CID 10222144
5-[3-(fluoromethyl)phenyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 118135330
7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 67624921
1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960731
6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
CID 848487
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one (CID 71021490) is 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one is O=c1oc(Nc2ccc(Oc3cccc(CF)c3)cc2)nc2sccc12.
What is the InChIKey of 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is SIBTXOPKTIWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c20-11-12-2-1-3-15(10-12)24-14-6-4-13(5-7-14)21-19-22-17-16(8-9-26-17)18(23)25-19/h1-10H,11H2,(H,21,22).
What are the key properties of 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one?
2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 368.39 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 71021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).