5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole

C7H10ClNO — CID 119031680

IUPAC5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole
SMILESCCc1nc(C)c(CCl)o1
InChIInChI=1S/C7H10ClNO/c1-3-7-9-5(2)6(4-8)10-7/h3-4H2,1-2H3
InChIKeyRYMGKQKBACEXPP-UHFFFAOYSA-N
MW159.62 g/mol
LogP2.28
Rot. Bonds2

About 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole

5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole (PubChem CID 119031680) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole
PubChem CID119031680
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole
SMILESCCc1nc(C)c(CCl)o1
InChIInChI=1S/C7H10ClNO/c1-3-7-9-5(2)6(4-8)10-7/h3-4H2,1-2H3
InChIKeyRYMGKQKBACEXPP-UHFFFAOYSA-N
XLogP2.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 52.28
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-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole (CID 119031680) is 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole is CCc1nc(C)c(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole?
The InChIKey is RYMGKQKBACEXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-3-7-9-5(2)6(4-8)10-7/h3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole?
5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole has a molecular weight of 159.62 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 119031680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).