(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate

C19H16ClNO4 — CID 31711430

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H16ClNO4/c1-13-9-15(20)7-8-17(13)23-12-18(22)24-10-16-11-25-19(21-16)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3
InChIKeyXPOGXJSBQMLLQT-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.43
Rot. Bonds6

About (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate

(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 31711430) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID31711430
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H16ClNO4/c1-13-9-15(20)7-8-17(13)23-12-18(22)24-10-16-11-25-19(21-16)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3
InChIKeyXPOGXJSBQMLLQT-UHFFFAOYSA-N
XLogP4.43
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604545
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55543684
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methylphenoxy)acetate
CID 8704769
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 35779307
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55568894
(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 78797837

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate (CID 31711430) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCc1coc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is XPOGXJSBQMLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-13-9-15(20)7-8-17(13)23-12-18(22)24-10-16-11-25-19(21-16)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 357.79 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 31711430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).