5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C16H22N4O2S — CID 97405694

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nc(CN2CCc3onc(CN4CCOCC4)c3C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-12-17-13(11-23-12)8-20-3-2-16-14(9-20)15(18-22-16)10-19-4-6-21-7-5-19/h11H,2-10H2,1H3
InChIKeyVZTKMAREYAXMSU-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.83
Rot. Bonds4

About 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405694) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405694
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nc(CN2CCc3onc(CN4CCOCC4)c3C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-12-17-13(11-23-12)8-20-3-2-16-14(9-20)15(18-22-16)10-19-4-6-21-7-5-19/h11H,2-10H2,1H3
InChIKeyVZTKMAREYAXMSU-UHFFFAOYSA-N
XLogP1.83
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405694) is 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1nc(CN2CCc3onc(CN4CCOCC4)c3C2)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is VZTKMAREYAXMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-17-13(11-23-12)8-20-3-2-16-14(9-20)15(18-22-16)10-19-4-6-21-7-5-19/h11H,2-10H2,1H3.
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 334.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).