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

C24H25N3O6 — CID 59486721

IUPAC1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C3(C(=O)O)CCN(C(=O)N(C)O)CC3)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O6/c1-26(31)23(30)27-14-12-24(13-15-27,22(28)29)21-25-19(16-8-10-18(32-2)11-9-16)20(33-21)17-6-4-3-5-7-17/h3-11,31H,12-15H2,1-2H3,(H,28,29)
InChIKeyXIHIWDYHOAMBSM-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.88
Rot. Bonds5

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

1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid (PubChem CID 59486721) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
PubChem CID59486721
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C3(C(=O)O)CCN(C(=O)N(C)O)CC3)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O6/c1-26(31)23(30)27-14-12-24(13-15-27,22(28)29)21-25-19(16-8-10-18(32-2)11-9-16)20(33-21)17-6-4-3-5-7-17/h3-11,31H,12-15H2,1-2H3,(H,28,29)
InChIKeyXIHIWDYHOAMBSM-UHFFFAOYSA-N
XLogP3.88
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid (CID 59486721) is 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid is COc1ccc(-c2nc(C3(C(=O)O)CCN(C(=O)N(C)O)CC3)oc2-c2ccccc2)cc1.
What is the InChIKey of 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid?
The InChIKey is XIHIWDYHOAMBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-26(31)23(30)27-14-12-24(13-15-27,22(28)29)21-25-19(16-8-10-18(32-2)11-9-16)20(33-21)17-6-4-3-5-7-17/h3-11,31H,12-15H2,1-2H3,(H,28,29).
What are the key properties of 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid?
1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid has a molecular weight of 451.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59486721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).