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

C24H23N5O5 — CID 143548424

IUPACmethyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccc(C(=O)N=[N+]=[N-])cc3)c(-c3ccc(OC)cc3)o2)CCNCC1
InChIInChI=1S/C24H23N5O5/c1-32-18-9-7-16(8-10-18)20-19(15-3-5-17(6-4-15)21(30)28-29-25)27-22(34-20)24(23(31)33-2)11-13-26-14-12-24/h3-10,26H,11-14H2,1-2H3
InChIKeyHCHZZYHSRJIRGN-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.26
Rot. Bonds6

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

methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate (PubChem CID 143548424) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
PubChem CID143548424
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Namemethyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccc(C(=O)N=[N+]=[N-])cc3)c(-c3ccc(OC)cc3)o2)CCNCC1
InChIInChI=1S/C24H23N5O5/c1-32-18-9-7-16(8-10-18)20-19(15-3-5-17(6-4-15)21(30)28-29-25)27-22(34-20)24(23(31)33-2)11-13-26-14-12-24/h3-10,26H,11-14H2,1-2H3
InChIKeyHCHZZYHSRJIRGN-UHFFFAOYSA-N
XLogP4.26
TPSA139.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 68507319
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-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate (CID 143548424) is methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate is COC(=O)C1(c2nc(-c3ccc(C(=O)N=[N+]=[N-])cc3)c(-c3ccc(OC)cc3)o2)CCNCC1.
What is the InChIKey of methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The InChIKey is HCHZZYHSRJIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-32-18-9-7-16(8-10-18)20-19(15-3-5-17(6-4-15)21(30)28-29-25)27-22(34-20)24(23(31)33-2)11-13-26-14-12-24/h3-10,26H,11-14H2,1-2H3.
What are the key properties of methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate has a molecular weight of 461.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 143548424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).