4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H18FN3O2S — CID 20943520

IUPAC4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1noc2c1CCc1sccc1-2)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18FN3O2S/c21-15-3-1-2-4-16(15)23-8-10-24(11-9-23)20(25)18-14-5-6-17-13(7-12-27-17)19(14)26-22-18/h1-4,7,12H,5-6,8-11H2
InChIKeyOMYYJTYAXCBSLY-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.60
Rot. Bonds2

About 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 20943520) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID20943520
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1noc2c1CCc1sccc1-2)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18FN3O2S/c21-15-3-1-2-4-16(15)23-8-10-24(11-9-23)20(25)18-14-5-6-17-13(7-12-27-17)19(14)26-22-18/h1-4,7,12H,5-6,8-11H2
InChIKeyOMYYJTYAXCBSLY-UHFFFAOYSA-N
XLogP3.60
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 20923855
N-[2-(azepan-1-yl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943646
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 70981942
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
[5-amino-3-(2-chlorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66576077
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943516
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 36840265
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 20943520) is 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1noc2c1CCc1sccc1-2)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is OMYYJTYAXCBSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-15-3-1-2-4-16(15)23-8-10-24(11-9-23)20(25)18-14-5-6-17-13(7-12-27-17)19(14)26-22-18/h1-4,7,12H,5-6,8-11H2.
What are the key properties of 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20943520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).