2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid

C25H27N3O7 — CID 59486570

IUPAC2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C3(C(=O)O)CCCCN3C(=O)N(C)O)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O7/c1-27(32)24(31)28-15-5-4-14-25(28,23(29)30)22-26-20(16-6-10-18(33-2)11-7-16)21(35-22)17-8-12-19(34-3)13-9-17/h6-13,32H,4-5,14-15H2,1-3H3,(H,29,30)
InChIKeySVZUAXVFNJSUNP-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.23
Rot. Bonds6

About 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid

2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 59486570) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID59486570
Molecular FormulaC25H27N3O7
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C3(C(=O)O)CCCCN3C(=O)N(C)O)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O7/c1-27(32)24(31)28-15-5-4-14-25(28,23(29)30)22-26-20(16-6-10-18(33-2)11-7-16)21(35-22)17-8-12-19(34-3)13-9-17/h6-13,32H,4-5,14-15H2,1-3H3,(H,29,30)
InChIKeySVZUAXVFNJSUNP-UHFFFAOYSA-N
XLogP4.23
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid (CID 59486570) is 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid is COc1ccc(-c2nc(C3(C(=O)O)CCCCN3C(=O)N(C)O)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is SVZUAXVFNJSUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-27(32)24(31)28-15-5-4-14-25(28,23(29)30)22-26-20(16-6-10-18(33-2)11-7-16)21(35-22)17-8-12-19(34-3)13-9-17/h6-13,32H,4-5,14-15H2,1-3H3,(H,29,30).
What are the key properties of 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid?
2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 481.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 59486570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).