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

C6H8ClNOS — CID 106920963

IUPAC2-(3-chloropropylsulfanyl)-1,3-oxazole
SMILESClCCCSc1ncco1
InChIInChI=1S/C6H8ClNOS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5H2
InChIKeyJPFJHSNWDHHGGX-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.40
Rot. Bonds4

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

2-(3-chloropropylsulfanyl)-1,3-oxazole (PubChem CID 106920963) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2-(3-chloropropylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropylsulfanyl)-1,3-oxazole
PubChem CID106920963
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2-(3-chloropropylsulfanyl)-1,3-oxazole
SMILESClCCCSc1ncco1
InChIInChI=1S/C6H8ClNOS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5H2
InChIKeyJPFJHSNWDHHGGX-UHFFFAOYSA-N
XLogP2.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.40
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

2-(5-bromopentylsulfanyl)-1,3-oxazole
CID 106920965
4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
CID 106923563
3-(1,3-oxazol-2-ylsulfanyl)propanenitrile
CID 106922507
4-[3-(1,3-oxazol-2-ylsulfanyl)propyl]aniline
CID 106924556
4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927407
N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 106925756
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole
CID 122150934
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927457
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-oxazole
CID 106923970

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropylsulfanyl)-1,3-oxazole (CID 106920963) is 2-(3-chloropropylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropylsulfanyl)-1,3-oxazole is ClCCCSc1ncco1.
What is the InChIKey of 2-(3-chloropropylsulfanyl)-1,3-oxazole?
The InChIKey is JPFJHSNWDHHGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5H2.
What are the key properties of 2-(3-chloropropylsulfanyl)-1,3-oxazole?
2-(3-chloropropylsulfanyl)-1,3-oxazole has a molecular weight of 177.66 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 106920963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).