methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate

C18H14ClNO3 — CID 3061218

IUPACmethyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C18H14ClNO3/c1-22-18(21)10-12-2-4-13(5-3-12)16-11-17(23-20-16)14-6-8-15(19)9-7-14/h2-9,11H,10H2,1H3
InChIKeyYXOHVZBNDVEPAW-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.38
Rot. Bonds4

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

methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate (PubChem CID 3061218) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate
PubChem CID3061218
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C18H14ClNO3/c1-22-18(21)10-12-2-4-13(5-3-12)16-11-17(23-20-16)14-6-8-15(19)9-7-14/h2-9,11H,10H2,1H3
InChIKeyYXOHVZBNDVEPAW-UHFFFAOYSA-N
XLogP4.38
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate (CID 3061218) is methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate is COC(=O)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate?
The InChIKey is YXOHVZBNDVEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-22-18(21)10-12-2-4-13(5-3-12)16-11-17(23-20-16)14-6-8-15(19)9-7-14/h2-9,11H,10H2,1H3.
What are the key properties of methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate?
methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate has a molecular weight of 327.77 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetate is sourced from PubChem (CID 3061218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).