1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol

C25H30N2O2 — CID 45195639

IUPAC1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
SMILESCc1ccc(-c2nc(CN3CCC(C(O)Cc4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C25H30N2O2/c1-18-8-10-22(11-9-18)25-26-23(19(2)29-25)17-27-14-12-21(13-15-27)24(28)16-20-6-4-3-5-7-20/h3-11,21,24,28H,12-17H2,1-2H3
InChIKeyAMMKTOJCFYLEIP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.77
Rot. Bonds6

About 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol

1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol (PubChem CID 45195639) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
PubChem CID45195639
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
SMILESCc1ccc(-c2nc(CN3CCC(C(O)Cc4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C25H30N2O2/c1-18-8-10-22(11-9-18)25-26-23(19(2)29-25)17-27-14-12-21(13-15-27)24(28)16-20-6-4-3-5-7-20/h3-11,21,24,28H,12-17H2,1-2H3
InChIKeyAMMKTOJCFYLEIP-UHFFFAOYSA-N
XLogP4.77
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol with MolForge

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Related Compounds

3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
CID 45242244
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
1-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 56913721
[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 45210993
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50950341
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
CID 29124095
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767
N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol (CID 45195639) is 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol is Cc1ccc(-c2nc(CN3CCC(C(O)Cc4ccccc4)CC3)c(C)o2)cc1.
What is the InChIKey of 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is AMMKTOJCFYLEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-8-10-22(11-9-18)25-26-23(19(2)29-25)17-27-14-12-21(13-15-27)24(28)16-20-6-4-3-5-7-20/h3-11,21,24,28H,12-17H2,1-2H3.
What are the key properties of 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol?
1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 390.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 45195639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).