(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C16H16F3N3O3S — CID 166109425

IUPAC(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCOC1CC(C(=O)N2CCc3scc(-c4noc(C(F)(F)F)n4)c3C2)C1
InChIInChI=1S/C16H16F3N3O3S/c1-24-9-4-8(5-9)14(23)22-3-2-12-10(6-22)11(7-26-12)13-20-15(25-21-13)16(17,18)19/h7-9H,2-6H2,1H3
InChIKeyYGFBLBFXMQYYLK-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.13
Rot. Bonds3

About (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 166109425) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID166109425
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCOC1CC(C(=O)N2CCc3scc(-c4noc(C(F)(F)F)n4)c3C2)C1
InChIInChI=1S/C16H16F3N3O3S/c1-24-9-4-8(5-9)14(23)22-3-2-12-10(6-22)11(7-26-12)13-20-15(25-21-13)16(17,18)19/h7-9H,2-6H2,1H3
InChIKeyYGFBLBFXMQYYLK-UHFFFAOYSA-N
XLogP3.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 166109425) is (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is COC1CC(C(=O)N2CCc3scc(-c4noc(C(F)(F)F)n4)c3C2)C1.
What is the InChIKey of (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is YGFBLBFXMQYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-24-9-4-8(5-9)14(23)22-3-2-12-10(6-22)11(7-26-12)13-20-15(25-21-13)16(17,18)19/h7-9H,2-6H2,1H3.
What are the key properties of (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 387.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclobutyl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 166109425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).