2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole

C12H12ClNO2 — CID 21290715

IUPAC2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole
SMILESCOCc1oc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H12ClNO2/c1-8-11(7-15-2)16-12(14-8)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3
InChIKeyDEQRHUYKKRBSOB-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.45
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole

2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole (PubChem CID 21290715) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole
PubChem CID21290715
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole
SMILESCOCc1oc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H12ClNO2/c1-8-11(7-15-2)16-12(14-8)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3
InChIKeyDEQRHUYKKRBSOB-UHFFFAOYSA-N
XLogP3.45
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole (CID 21290715) is 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole is COCc1oc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole?
The InChIKey is DEQRHUYKKRBSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8-11(7-15-2)16-12(14-8)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole?
2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole has a molecular weight of 237.69 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 21290715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).