(4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone

C29H38N4O4 — CID 24998194

IUPAC(4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(C[C@H]2CC(C(=O)N3CCC(Oc4ccccc4)CC3)=NO2)CC1
InChIInChI=1S/C29H38N4O4/c1-22(2)35-28-11-7-6-10-27(28)32-18-16-31(17-19-32)21-25-20-26(30-37-25)29(34)33-14-12-24(13-15-33)36-23-8-4-3-5-9-23/h3-11,22,24-25H,12-21H2,1-2H3/t25-/m1/s1
InChIKeyWVGFFIGQPOLQOE-RUZDIDTESA-N
MW506.65 g/mol
LogP3.81
Rot. Bonds8

About (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone

(4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone (PubChem CID 24998194) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
PubChem CID24998194
Molecular FormulaC29H38N4O4
Molecular Weight506.65 g/mol
Exact Mass506.29
IUPAC Name(4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(C[C@H]2CC(C(=O)N3CCC(Oc4ccccc4)CC3)=NO2)CC1
InChIInChI=1S/C29H38N4O4/c1-22(2)35-28-11-7-6-10-27(28)32-18-16-31(17-19-32)21-25-20-26(30-37-25)29(34)33-14-12-24(13-15-33)36-23-8-4-3-5-9-23/h3-11,22,24-25H,12-21H2,1-2H3/t25-/m1/s1
InChIKeyWVGFFIGQPOLQOE-RUZDIDTESA-N
XLogP3.81
TPSA66.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(4-phenoxypiperidin-1-yl)-[(5S)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 24998195
morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 24997581
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole-3-carbaldehyde
CID 89242111
(5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 69165508
3-(chloromethyl)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole;3-ethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 162229495
1-[[(5S)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one
CID 25001078
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one;1-[[(5S)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one;1-[[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one
CID 158144954
3-(2,3-dihydroindol-1-ylmethyl)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole;ethane
CID 143644733
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661

Frequently Asked Questions

What is the IUPAC name of (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone (CID 24998194) is (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone is CC(C)Oc1ccccc1N1CCN(C[C@H]2CC(C(=O)N3CCC(Oc4ccccc4)CC3)=NO2)CC1.
What is the InChIKey of (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The InChIKey is WVGFFIGQPOLQOE-RUZDIDTESA-N. The full InChI is InChI=1S/C29H38N4O4/c1-22(2)35-28-11-7-6-10-27(28)32-18-16-31(17-19-32)21-25-20-26(30-37-25)29(34)33-14-12-24(13-15-33)36-23-8-4-3-5-9-23/h3-11,22,24-25H,12-21H2,1-2H3/t25-/m1/s1.
What are the key properties of (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
(4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone has a molecular weight of 506.65 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxypiperidin-1-yl)-[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24998194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).