ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate

C20H18ClNO4 — CID 59385171

IUPACethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(OC)cc2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c1-3-25-18(23)12-17-19(13-4-8-15(21)9-5-13)26-20(22-17)14-6-10-16(24-2)11-7-14/h4-11H,3,12H2,1-2H3
InChIKeyLRRMQAZGJWYRIU-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.78
Rot. Bonds6

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

ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate (PubChem CID 59385171) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
PubChem CID59385171
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Nameethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(OC)cc2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c1-3-25-18(23)12-17-19(13-4-8-15(21)9-5-13)26-20(22-17)14-6-10-16(24-2)11-7-14/h4-11H,3,12H2,1-2H3
InChIKeyLRRMQAZGJWYRIU-UHFFFAOYSA-N
XLogP4.78
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
CID 13392297
ethyl 2-[5-(4-chloro-3-fluorophenyl)-2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-oxazol-4-yl]acetate
CID 59384662
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]propanoate
CID 13361430
ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
CID 10002638
ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate
CID 14091140
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate (CID 59385171) is ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(OC)cc2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate?
The InChIKey is LRRMQAZGJWYRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-3-25-18(23)12-17-19(13-4-8-15(21)9-5-13)26-20(22-17)14-6-10-16(24-2)11-7-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate?
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate has a molecular weight of 371.82 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 59385171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).