2-hexylsulfanyl-4-methyl-1,3-oxazole

C10H17NOS — CID 21329723

IUPAC2-hexylsulfanyl-4-methyl-1,3-oxazole
SMILESCCCCCCSc1nc(C)co1
InChIInChI=1S/C10H17NOS/c1-3-4-5-6-7-13-10-11-9(2)8-12-10/h8H,3-7H2,1-2H3
InChIKeyKCOVPCFVNYUBAL-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.66
Rot. Bonds6

About 2-hexylsulfanyl-4-methyl-1,3-oxazole

2-hexylsulfanyl-4-methyl-1,3-oxazole (PubChem CID 21329723) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-hexylsulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-hexylsulfanyl-4-methyl-1,3-oxazole
PubChem CID21329723
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-hexylsulfanyl-4-methyl-1,3-oxazole
SMILESCCCCCCSc1nc(C)co1
InChIInChI=1S/C10H17NOS/c1-3-4-5-6-7-13-10-11-9(2)8-12-10/h8H,3-7H2,1-2H3
InChIKeyKCOVPCFVNYUBAL-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hexylsulfanyl-4-methyl-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 12993962
CID 12993962
CID 12993973
CID 12993973
CID 21850560
CID 21850560
CID 21850590
CID 21850590
CID 144946107
CID 144946107
CID 86212855
CID 86212855
CID 106920819
CID 106920819
CID 106920868
CID 106920868
CID 106921003
CID 106921003
CID 106921975
CID 106921975
CID 106922139
CID 106922139
CID 106922525
CID 106922525

Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-hexylsulfanyl-4-methyl-1,3-oxazole (CID 21329723) is 2-hexylsulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-hexylsulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-hexylsulfanyl-4-methyl-1,3-oxazole is CCCCCCSc1nc(C)co1.
What is the InChIKey of 2-hexylsulfanyl-4-methyl-1,3-oxazole?
The InChIKey is KCOVPCFVNYUBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-4-5-6-7-13-10-11-9(2)8-12-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-hexylsulfanyl-4-methyl-1,3-oxazole?
2-hexylsulfanyl-4-methyl-1,3-oxazole has a molecular weight of 199.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 21329723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).