benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate

C24H19NO4 — CID 46210451

IUPACbenzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCOc1ccccc1-c1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1
InChIInChI=1S/C24H19NO4/c1-27-22-10-6-5-9-20(22)18-11-13-19(14-12-18)23-25-21(16-28-23)24(26)29-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
InChIKeyYQUYNYKDNIAYLZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.37
Rot. Bonds6

About benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate

benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 46210451) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID46210451
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Namebenzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCOc1ccccc1-c1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1
InChIInChI=1S/C24H19NO4/c1-27-22-10-6-5-9-20(22)18-11-13-19(14-12-18)23-25-21(16-28-23)24(26)29-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
InChIKeyYQUYNYKDNIAYLZ-UHFFFAOYSA-N
XLogP5.37
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
benzyl 2-(6-bromo-3-pyridinyl)-1,3-oxazole-4-carboxylate
CID 46201474
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71452942
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate
CID 71485303
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl 2-(2-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 46201431
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120443

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate (CID 46210451) is benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate is COc1ccccc1-c1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1.
What is the InChIKey of benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is YQUYNYKDNIAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-27-22-10-6-5-9-20(22)18-11-13-19(14-12-18)23-25-21(16-28-23)24(26)29-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3.
What are the key properties of benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate?
benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46210451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).