5-(3-chloropropyl)-3-methyl-1,2-oxazole

C7H10ClNO — CID 10103423

IUPAC5-(3-chloropropyl)-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCl)on1
InChIInChI=1S/C7H10ClNO/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4H2,1H3
InChIKeyWKCCXMQDJNSMOT-UHFFFAOYSA-N
MW159.62 g/mol
LogP2.15
Rot. Bonds3

About 5-(3-chloropropyl)-3-methyl-1,2-oxazole

5-(3-chloropropyl)-3-methyl-1,2-oxazole (PubChem CID 10103423) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-methyl-1,2-oxazole
PubChem CID10103423
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name5-(3-chloropropyl)-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCl)on1
InChIInChI=1S/C7H10ClNO/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4H2,1H3
InChIKeyWKCCXMQDJNSMOT-UHFFFAOYSA-N
XLogP2.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(3-chloropropyl)-3-methyl-1,2-oxazole (CID 10103423) is 5-(3-chloropropyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(3-chloropropyl)-3-methyl-1,2-oxazole is Cc1cc(CCCCl)on1.
What is the InChIKey of 5-(3-chloropropyl)-3-methyl-1,2-oxazole?
The InChIKey is WKCCXMQDJNSMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4H2,1H3.
What are the key properties of 5-(3-chloropropyl)-3-methyl-1,2-oxazole?
5-(3-chloropropyl)-3-methyl-1,2-oxazole has a molecular weight of 159.62 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 10103423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).