6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone

C16H13N3O2S — CID 86265126

IUPAC6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCc2oncc2C1
InChIInChI=1S/C16H13N3O2S/c20-16(19-7-6-14-12(9-19)8-17-21-14)13-10-22-15(18-13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2
InChIKeyXJALZDIZRXCCIK-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.00
Rot. Bonds2

About 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 86265126) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID86265126
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCc2oncc2C1
InChIInChI=1S/C16H13N3O2S/c20-16(19-7-6-14-12(9-19)8-17-21-14)13-10-22-15(18-13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2
InChIKeyXJALZDIZRXCCIK-UHFFFAOYSA-N
XLogP3.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 86265126) is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccccc2)n1)N1CCc2oncc2C1.
What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is XJALZDIZRXCCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-16(19-7-6-14-12(9-19)8-17-21-14)13-10-22-15(18-13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2.
What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone?
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 311.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 86265126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).