ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate

C27H25NO4 — CID 10002638

IUPACethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C27H25NO4/c1-4-30-24(29)17-31-23-15-13-22(14-16-23)27-28-25(20-9-5-18(2)6-10-20)26(32-27)21-11-7-19(3)8-12-21/h5-16H,4,17H2,1-3H3
InChIKeyCNTFHIIUSVSZNN-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.23
Rot. Bonds7

About ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate

ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate (PubChem CID 10002638) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
PubChem CID10002638
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Nameethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C27H25NO4/c1-4-30-24(29)17-31-23-15-13-22(14-16-23)27-28-25(20-9-5-18(2)6-10-20)26(32-27)21-11-7-19(3)8-12-21/h5-16H,4,17H2,1-3H3
InChIKeyCNTFHIIUSVSZNN-UHFFFAOYSA-N
XLogP6.23
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]hexanoic acid
CID 10343994
ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
CID 54031249
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 10447326
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
ethyl 2-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]acetate
CID 7310631
ethyl 2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 15550200
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
CID 82532372
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
CID 174475566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate (CID 10002638) is ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate?
The InChIKey is CNTFHIIUSVSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-4-30-24(29)17-31-23-15-13-22(14-16-23)27-28-25(20-9-5-18(2)6-10-20)26(32-27)21-11-7-19(3)8-12-21/h5-16H,4,17H2,1-3H3.
What are the key properties of ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate?
ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate has a molecular weight of 427.50 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate is sourced from PubChem (CID 10002638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).