methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate

C16H18ClNO4 — CID 21290706

IUPACmethyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)OCc1oc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C16H18ClNO4/c1-10-13(9-21-16(2,3)15(19)20-4)22-14(18-10)11-5-7-12(17)8-6-11/h5-8H,9H2,1-4H3
InChIKeyKANDDQYZRXVTFE-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.77
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate

methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate (PubChem CID 21290706) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate
PubChem CID21290706
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)OCc1oc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C16H18ClNO4/c1-10-13(9-21-16(2,3)15(19)20-4)22-14(18-10)11-5-7-12(17)8-6-11/h5-8H,9H2,1-4H3
InChIKeyKANDDQYZRXVTFE-UHFFFAOYSA-N
XLogP3.77
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate (CID 21290706) is methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate is COC(=O)C(C)(C)OCc1oc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate?
The InChIKey is KANDDQYZRXVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-10-13(9-21-16(2,3)15(19)20-4)22-14(18-10)11-5-7-12(17)8-6-11/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate?
methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate has a molecular weight of 323.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate is sourced from PubChem (CID 21290706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).