5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole

C8H8N2OS — CID 170378870

IUPAC5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole
SMILESCc1cnc(Cc2cnco2)s1
InChIInChI=1S/C8H8N2OS/c1-6-3-10-8(12-6)2-7-4-9-5-11-7/h3-5H,2H2,1H3
InChIKeyFHUXAWGWZRZRKN-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.03
Rot. Bonds2

About 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole

5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole (PubChem CID 170378870) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole
PubChem CID170378870
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole
SMILESCc1cnc(Cc2cnco2)s1
InChIInChI=1S/C8H8N2OS/c1-6-3-10-8(12-6)2-7-4-9-5-11-7/h3-5H,2H2,1H3
InChIKeyFHUXAWGWZRZRKN-UHFFFAOYSA-N
XLogP2.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole (CID 170378870) is 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole is Cc1cnc(Cc2cnco2)s1.
What is the InChIKey of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole?
The InChIKey is FHUXAWGWZRZRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-6-3-10-8(12-6)2-7-4-9-5-11-7/h3-5H,2H2,1H3.
What are the key properties of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole?
5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole has a molecular weight of 180.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 170378870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).