ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate

C20H18ClNO4 — CID 59786538

IUPACethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C20H18ClNO4/c1-2-24-20(23)17-13-26-19(22-17)11-15-10-16(21)8-9-18(15)25-12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3
InChIKeyRQTZCUQOUWFUNK-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.67
Rot. Bonds7

About ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate

ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate (PubChem CID 59786538) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
PubChem CID59786538
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Nameethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C20H18ClNO4/c1-2-24-20(23)17-13-26-19(22-17)11-15-10-16(21)8-9-18(15)25-12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3
InChIKeyRQTZCUQOUWFUNK-UHFFFAOYSA-N
XLogP4.67
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384265
2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 59786416
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
ethyl 4-[(5-chloro-2-phenylmethoxyphenyl)methyl-ethylamino]benzoate
CID 54448458
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid
CID 11646506
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726
ethyl 2-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786310
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
ethyl 2-[[5-chloro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate (CID 59786538) is ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is RQTZCUQOUWFUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-2-24-20(23)17-13-26-19(22-17)11-15-10-16(21)8-9-18(15)25-12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 59786538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).