4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide

C27H31N3O6 — CID 89031770

IUPAC4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2oc(C3(C=O)CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C27H31N3O6/c1-18(2)35-22-11-5-19(6-12-22)23-24(20-7-9-21(34-4)10-8-20)36-25(28-23)27(17-31)13-15-30(16-14-27)26(32)29(3)33/h5-12,17-18,33H,13-16H2,1-4H3
InChIKeyPFFKUMPXXLNCIL-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.78
Rot. Bonds7

About 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide

4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 89031770) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
PubChem CID89031770
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2oc(C3(C=O)CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C27H31N3O6/c1-18(2)35-22-11-5-19(6-12-22)23-24(20-7-9-21(34-4)10-8-20)36-25(28-23)27(17-31)13-15-30(16-14-27)26(32)29(3)33/h5-12,17-18,33H,13-16H2,1-4H3
InChIKeyPFFKUMPXXLNCIL-UHFFFAOYSA-N
XLogP4.78
TPSA105.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486588
1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
CID 59486721
N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 59486528
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
2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 59486570
N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031755
methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-[4-(hydroxymethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 59486995
4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486965
4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide
CID 59486654
N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486882
methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 68507319

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide (CID 89031770) is 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide is COc1ccc(-c2oc(C3(C=O)CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is PFFKUMPXXLNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-18(2)35-22-11-5-19(6-12-22)23-24(20-7-9-21(34-4)10-8-20)36-25(28-23)27(17-31)13-15-30(16-14-27)26(32)29(3)33/h5-12,17-18,33H,13-16H2,1-4H3.
What are the key properties of 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 89031770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).