4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole

C12H16N2OS — CID 126486921

IUPAC4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole
SMILESCC(CCC(C)c1cncs1)c1cnoc1
InChIInChI=1S/C12H16N2OS/c1-9(11-5-14-15-7-11)3-4-10(2)12-6-13-8-16-12/h5-10H,3-4H2,1-2H3
InChIKeyNFUVMWNFPYJHCF-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.82
Rot. Bonds5

About 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole

4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole (PubChem CID 126486921) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole
PubChem CID126486921
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole
SMILESCC(CCC(C)c1cncs1)c1cnoc1
InChIInChI=1S/C12H16N2OS/c1-9(11-5-14-15-7-11)3-4-10(2)12-6-13-8-16-12/h5-10H,3-4H2,1-2H3
InChIKeyNFUVMWNFPYJHCF-UHFFFAOYSA-N
XLogP3.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole 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 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole?
The IUPAC name of 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole (CID 126486921) is 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole.
What is the SMILES notation for 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole?
The canonical SMILES for 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole is CC(CCC(C)c1cncs1)c1cnoc1.
What is the InChIKey of 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole?
The InChIKey is NFUVMWNFPYJHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(11-5-14-15-7-11)3-4-10(2)12-6-13-8-16-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole?
4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole has a molecular weight of 236.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-thiazol-5-yl)hexan-2-yl]-1,2-oxazole is sourced from PubChem (CID 126486921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).