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

C7H10ClNOS — CID 106920998

IUPAC2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCCCCl)n1
InChIInChI=1S/C7H10ClNOS/c1-6-5-10-7(9-6)11-4-2-3-8/h5H,2-4H2,1H3
InChIKeyNREKXCYHUGJAGY-UHFFFAOYSA-N
MW191.68 g/mol
LogP2.70
Rot. Bonds4

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

2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole (PubChem CID 106920998) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
PubChem CID106920998
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCCCCl)n1
InChIInChI=1S/C7H10ClNOS/c1-6-5-10-7(9-6)11-4-2-3-8/h5H,2-4H2,1H3
InChIKeyNREKXCYHUGJAGY-UHFFFAOYSA-N
XLogP2.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924308
2-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propoxy]benzonitrile
CID 106922528
2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
CID 106924710
2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
CID 106924051
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
2-(3-chloropropylsulfanyl)-1,3-oxazole
CID 106920963
(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
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole (CID 106920998) is 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole is Cc1coc(SCCCCl)n1.
What is the InChIKey of 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole?
The InChIKey is NREKXCYHUGJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-6-5-10-7(9-6)11-4-2-3-8/h5H,2-4H2,1H3.
What are the key properties of 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole?
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole has a molecular weight of 191.68 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 106920998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).