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

C15H17N5OS — CID 97405683

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nc(CN2CCc3onc(Cn4cccn4)c3C2)cs1
InChIInChI=1S/C15H17N5OS/c1-11-17-12(10-22-11)7-19-6-3-15-13(8-19)14(18-21-15)9-20-5-2-4-16-20/h2,4-5,10H,3,6-9H2,1H3
InChIKeyBSWFEDRFPATHFL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.24
Rot. Bonds4

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

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405683) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-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-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405683
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nc(CN2CCc3onc(Cn4cccn4)c3C2)cs1
InChIInChI=1S/C15H17N5OS/c1-11-17-12(10-22-11)7-19-6-3-15-13(8-19)14(18-21-15)9-20-5-2-4-16-20/h2,4-5,10H,3,6-9H2,1H3
InChIKeyBSWFEDRFPATHFL-UHFFFAOYSA-N
XLogP2.24
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-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-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405683) is 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-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-(pyrazol-1-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-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1nc(CN2CCc3onc(Cn4cccn4)c3C2)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is BSWFEDRFPATHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11-17-12(10-22-11)7-19-6-3-15-13(8-19)14(18-21-15)9-20-5-2-4-16-20/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 315.40 g/mol, XLogP of 2.24, 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-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).