N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H29N3O4 — CID 86876644

IUPACN-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCC(OC2CCCCC2)CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H29N3O4/c27-22(26-13-11-19(12-14-26)29-18-9-5-2-6-10-18)16-24-23(28)20-15-21(30-25-20)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19H,2,5-6,9-14,16H2,(H,24,28)
InChIKeyMXKKAYCCZDRKEL-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 86876644) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID86876644
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCC(OC2CCCCC2)CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H29N3O4/c27-22(26-13-11-19(12-14-26)29-18-9-5-2-6-10-18)16-24-23(28)20-15-21(30-25-20)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19H,2,5-6,9-14,16H2,(H,24,28)
InChIKeyMXKKAYCCZDRKEL-UHFFFAOYSA-N
XLogP3.41
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 86876644) is N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC(=O)N1CCC(OC2CCCCC2)CC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MXKKAYCCZDRKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-22(26-13-11-19(12-14-26)29-18-9-5-2-6-10-18)16-24-23(28)20-15-21(30-25-20)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19H,2,5-6,9-14,16H2,(H,24,28).
What are the key properties of N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86876644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).