2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole

C10H10ClNO2 — CID 11310371

IUPAC2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole
SMILESCOC1COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C10H10ClNO2/c1-13-9-6-14-10(12-9)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKeyKZMUDGSZRRXMQF-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole

2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole (PubChem CID 11310371) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole
PubChem CID11310371
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole
SMILESCOC1COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C10H10ClNO2/c1-13-9-6-14-10(12-9)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKeyKZMUDGSZRRXMQF-UHFFFAOYSA-N
XLogP2.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole (CID 11310371) is 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole is COC1COC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The InChIKey is KZMUDGSZRRXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-13-9-6-14-10(12-9)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole has a molecular weight of 211.65 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11310371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).