2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole

C6H8N4OS — CID 106924308

IUPAC2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCCN=[N+]=[N-])n1
InChIInChI=1S/C6H8N4OS/c1-5-4-11-6(9-5)12-3-2-8-10-7/h4H,2-3H2,1H3
InChIKeyYJYIOHYPJLVXRZ-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole

2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole (PubChem CID 106924308) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
PubChem CID106924308
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCCN=[N+]=[N-])n1
InChIInChI=1S/C6H8N4OS/c1-5-4-11-6(9-5)12-3-2-8-10-7/h4H,2-3H2,1H3
InChIKeyYJYIOHYPJLVXRZ-UHFFFAOYSA-N
XLogP2.39
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(2-azidoethylsulfanyl)-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

2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
2-(2-azidoethylsulfanyl)-4,5,6-trimethylpyrimidine
CID 65043365
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
CID 106924051
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922726
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
4-methyl-2-(oxiran-2-ylmethylsulfanyl)-1,3-oxazole
CID 106922967
3-(2-azidoethylsulfanyl)-5-methyl-1H-1,2,4-triazole
CID 61397062
N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922124
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole (CID 106924308) is 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole is Cc1coc(SCCN=[N+]=[N-])n1.
What is the InChIKey of 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole?
The InChIKey is YJYIOHYPJLVXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c1-5-4-11-6(9-5)12-3-2-8-10-7/h4H,2-3H2,1H3.
What are the key properties of 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole?
2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole has a molecular weight of 184.22 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 106924308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).