(5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C19H15N3O2S — CID 71713469

IUPAC(5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCc1cc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)no1
InChIInChI=1S/C19H15N3O2S/c1-13-11-16(21-24-13)19(23)22-10-9-15-17(12-22)25-18(20-15)8-7-14-5-3-2-4-6-14/h2-6,11H,9-10,12H2,1H3
InChIKeyGXVFFGJODDZHQK-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.04
Rot. Bonds1

About (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71713469) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71713469
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCc1cc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)no1
InChIInChI=1S/C19H15N3O2S/c1-13-11-16(21-24-13)19(23)22-10-9-15-17(12-22)25-18(20-15)8-7-14-5-3-2-4-6-14/h2-6,11H,9-10,12H2,1H3
InChIKeyGXVFFGJODDZHQK-UHFFFAOYSA-N
XLogP3.04
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71713469) is (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is Cc1cc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is GXVFFGJODDZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-13-11-16(21-24-13)19(23)22-10-9-15-17(12-22)25-18(20-15)8-7-14-5-3-2-4-6-14/h2-6,11H,9-10,12H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 349.42 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71713469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).