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

C22H32N4O4 — CID 24997581

IUPACmorpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(CC2CC(C(=O)N3CCOCC3)=NO2)CC1
InChIInChI=1S/C22H32N4O4/c1-17(2)29-21-6-4-3-5-20(21)25-9-7-24(8-10-25)16-18-15-19(23-30-18)22(27)26-11-13-28-14-12-26/h3-6,17-18H,7-16H2,1-2H3
InChIKeyXIRLTXRXIOOLJX-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.60
Rot. Bonds6

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

morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone (PubChem CID 24997581) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
PubChem CID24997581
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Namemorpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(CC2CC(C(=O)N3CCOCC3)=NO2)CC1
InChIInChI=1S/C22H32N4O4/c1-17(2)29-21-6-4-3-5-20(21)25-9-7-24(8-10-25)16-18-15-19(23-30-18)22(27)26-11-13-28-14-12-26/h3-6,17-18H,7-16H2,1-2H3
InChIKeyXIRLTXRXIOOLJX-UHFFFAOYSA-N
XLogP1.60
TPSA66.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
(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
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
(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077620
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077645

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone (CID 24997581) is morpholin-4-yl-[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 morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone is CC(C)Oc1ccccc1N1CCN(CC2CC(C(=O)N3CCOCC3)=NO2)CC1.
What is the InChIKey of morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The InChIKey is XIRLTXRXIOOLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-17(2)29-21-6-4-3-5-20(21)25-9-7-24(8-10-25)16-18-15-19(23-30-18)22(27)26-11-13-28-14-12-26/h3-6,17-18H,7-16H2,1-2H3.
What are the key properties of morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?
morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone has a molecular weight of 416.52 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).