methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate

C24H26N2O5 — CID 68507319

IUPACmethyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)o2)CCNCC1
InChIInChI=1S/C24H26N2O5/c1-28-18-8-4-16(5-9-18)20-21(17-6-10-19(29-2)11-7-17)31-22(26-20)24(23(27)30-3)12-14-25-15-13-24/h4-11,25H,12-15H2,1-3H3
InChIKeyUEYGSANIKLOTSN-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.82
Rot. Bonds6

About methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate

methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate (PubChem CID 68507319) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
PubChem CID68507319
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namemethyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)o2)CCNCC1
InChIInChI=1S/C24H26N2O5/c1-28-18-8-4-16(5-9-18)20-21(17-6-10-19(29-2)11-7-17)31-22(26-20)24(23(27)30-3)12-14-25-15-13-24/h4-11,25H,12-15H2,1-3H3
InChIKeyUEYGSANIKLOTSN-UHFFFAOYSA-N
XLogP3.82
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 143548424
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole
CID 59486782
methyl 4-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-4-carboxylate
CID 89031788
methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 59486996
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625
1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
CID 59486721
methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-[4-(hydroxymethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 59486995
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486588
2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 59486570
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
CID 59486762
4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031770

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate (CID 68507319) is methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate is COC(=O)C1(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)o2)CCNCC1.
What is the InChIKey of methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The InChIKey is UEYGSANIKLOTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-28-18-8-4-16(5-9-18)20-21(17-6-10-19(29-2)11-7-17)31-22(26-20)24(23(27)30-3)12-14-25-15-13-24/h4-11,25H,12-15H2,1-3H3.
What are the key properties of methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 68507319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).