(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine

C28H35N3O2 — CID 29124095

IUPAC(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C28H35N3O2/c1-20-17-31(18-21(2)32-20)26-13-15-30(16-14-26)19-27-22(3)33-28(29-27)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-12,20-21,26H,13-19H2,1-3H3/t20-,21+
InChIKeyRNDDLUNROFQYFX-OYRHEFFESA-N
MW445.61 g/mol
LogP5.39
Rot. Bonds5

About (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine (PubChem CID 29124095) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
PubChem CID29124095
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C28H35N3O2/c1-20-17-31(18-21(2)32-20)26-13-15-30(16-14-26)19-27-22(3)33-28(29-27)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-12,20-21,26H,13-19H2,1-3H3/t20-,21+
InChIKeyRNDDLUNROFQYFX-OYRHEFFESA-N
XLogP5.39
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

(2S,6R)-4-[1-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 29257826
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195639
2-(furan-3-yl)-5-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 42401935
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 164641050
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine (CID 29124095) is (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine?
The InChIKey is RNDDLUNROFQYFX-OYRHEFFESA-N. The full InChI is InChI=1S/C28H35N3O2/c1-20-17-31(18-21(2)32-20)26-13-15-30(16-14-26)19-27-22(3)33-28(29-27)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-12,20-21,26H,13-19H2,1-3H3/t20-,21+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine has a molecular weight of 445.61 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 29124095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).