N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide

C32H37N5O4 — CID 73225307

IUPACN-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
SMILESCON=C1OCC(c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccc(C(=O)NC4CC4)cc3)nc2C)CC1
InChIInChI=1S/C32H37N5O4/c1-22-25(10-15-30(33-22)41-28-13-8-24(9-14-28)31(38)34-26-11-12-26)20-36-18-16-27(17-19-36)37-29(21-40-32(37)35-39-2)23-6-4-3-5-7-23/h3-10,13-15,26-27,29H,11-12,16-21H2,1-2H3,(H,34,38)
InChIKeyVWJQRHMLNILIJP-UHFFFAOYSA-N
MW555.68 g/mol
LogP5.03
Rot. Bonds9

About N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide

N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide (PubChem CID 73225307) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
PubChem CID73225307
Molecular FormulaC32H37N5O4
Molecular Weight555.68 g/mol
Exact Mass555.28
IUPAC NameN-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
SMILESCON=C1OCC(c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccc(C(=O)NC4CC4)cc3)nc2C)CC1
InChIInChI=1S/C32H37N5O4/c1-22-25(10-15-30(33-22)41-28-13-8-24(9-14-28)31(38)34-26-11-12-26)20-36-18-16-27(17-19-36)37-29(21-40-32(37)35-39-2)23-6-4-3-5-7-23/h3-10,13-15,26-27,29H,11-12,16-21H2,1-2H3,(H,34,38)
InChIKeyVWJQRHMLNILIJP-UHFFFAOYSA-N
XLogP5.03
TPSA88.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide (CID 73225307) is N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide is CON=C1OCC(c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccc(C(=O)NC4CC4)cc3)nc2C)CC1.
What is the InChIKey of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?
The InChIKey is VWJQRHMLNILIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-22-25(10-15-30(33-22)41-28-13-8-24(9-14-28)31(38)34-26-11-12-26)20-36-18-16-27(17-19-36)37-29(21-40-32(37)35-39-2)23-6-4-3-5-7-23/h3-10,13-15,26-27,29H,11-12,16-21H2,1-2H3,(H,34,38).
What are the key properties of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?
N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide has a molecular weight of 555.68 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 73225307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).