methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate

C25H21NO5 — CID 154791660

IUPACmethyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C25H21NO5/c1-28-25(27)22-15-24(31-26-22)21-13-12-20(29-16-18-8-4-2-5-9-18)14-23(21)30-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
InChIKeyMZKVDBSOGYZKJC-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.29
Rot. Bonds8

About methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate

methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 154791660) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
PubChem CID154791660
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Namemethyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C25H21NO5/c1-28-25(27)22-15-24(31-26-22)21-13-12-20(29-16-18-8-4-2-5-9-18)14-23(21)30-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
InChIKeyMZKVDBSOGYZKJC-UHFFFAOYSA-N
XLogP5.29
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 67834275
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate (CID 154791660) is methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)on1.
What is the InChIKey of methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is MZKVDBSOGYZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-28-25(27)22-15-24(31-26-22)21-13-12-20(29-16-18-8-4-2-5-9-18)14-23(21)30-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3.
What are the key properties of methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).