2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole

C8H12ClNO2 — CID 10856266

IUPAC2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole
SMILESCOc1oc(CCCCl)nc1C
InChIInChI=1S/C8H12ClNO2/c1-6-8(11-2)12-7(10-6)4-3-5-9/h3-5H2,1-2H3
InChIKeyMYEMMNFBRUTQKZ-UHFFFAOYSA-N
MW189.64 g/mol
LogP2.16
Rot. Bonds4

About 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole

2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole (PubChem CID 10856266) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole
PubChem CID10856266
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole
SMILESCOc1oc(CCCCl)nc1C
InChIInChI=1S/C8H12ClNO2/c1-6-8(11-2)12-7(10-6)4-3-5-9/h3-5H2,1-2H3
InChIKeyMYEMMNFBRUTQKZ-UHFFFAOYSA-N
XLogP2.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole (CID 10856266) is 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole is COc1oc(CCCCl)nc1C.
What is the InChIKey of 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole?
The InChIKey is MYEMMNFBRUTQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6-8(11-2)12-7(10-6)4-3-5-9/h3-5H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole?
2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole has a molecular weight of 189.64 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-methoxy-4-methyl-1,3-oxazole is sourced from PubChem (CID 10856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).