methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate

C16H14N2O5 — CID 67492296

IUPACmethyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2c(-c3ccccc3)noc2C)no1
InChIInChI=1S/C16H14N2O5/c1-10-12(15(18-22-10)11-6-4-3-5-7-11)9-21-14-8-13(23-17-14)16(19)20-2/h3-8H,9H2,1-2H3
InChIKeyBUSCWNLQAJETKQ-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.00
Rot. Bonds5

About methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate

methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate (PubChem CID 67492296) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
PubChem CID67492296
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Namemethyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2c(-c3ccccc3)noc2C)no1
InChIInChI=1S/C16H14N2O5/c1-10-12(15(18-22-10)11-6-4-3-5-7-11)9-21-14-8-13(23-17-14)16(19)20-2/h3-8H,9H2,1-2H3
InChIKeyBUSCWNLQAJETKQ-UHFFFAOYSA-N
XLogP3.00
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
CID 172815273
CID 172815273
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
CID 42630377
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
methyl 3-[(4-cyanophenyl)methoxy]-1,2-oxazole-5-carboxylate
CID 21471720
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
CID 158854945
propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
CID 154266442
N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
CID 87459442
methyl (2S)-2-[[(E)-3-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 156757058

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate (CID 67492296) is methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate is COC(=O)c1cc(OCc2c(-c3ccccc3)noc2C)no1.
What is the InChIKey of methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate?
The InChIKey is BUSCWNLQAJETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-10-12(15(18-22-10)11-6-4-3-5-7-11)9-21-14-8-13(23-17-14)16(19)20-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate?
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67492296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).