3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol

C25H32N2O2 — CID 45242244

IUPAC3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(O)CC(C)C)CC1
InChIInChI=1S/C25H32N2O2/c1-17(2)14-24(28)20-10-12-27(13-11-20)16-23-18(3)29-25(26-23)22-9-8-19-6-4-5-7-21(19)15-22/h4-9,15,17,20,24,28H,10-14,16H2,1-3H3
InChIKeySKWGECXBXVFUOP-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.42
Rot. Bonds6

About 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol

3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol (PubChem CID 45242244) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
PubChem CID45242244
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(O)CC(C)C)CC1
InChIInChI=1S/C25H32N2O2/c1-17(2)14-24(28)20-10-12-27(13-11-20)16-23-18(3)29-25(26-23)22-9-8-19-6-4-5-7-21(19)15-22/h4-9,15,17,20,24,28H,10-14,16H2,1-3H3
InChIKeySKWGECXBXVFUOP-UHFFFAOYSA-N
XLogP5.42
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195639
[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 42567137
[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 45210993
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473
(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
CID 25456411
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92662416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol?
The IUPAC name of 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol (CID 45242244) is 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol?
The canonical SMILES for 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol is Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(O)CC(C)C)CC1.
What is the InChIKey of 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol?
The InChIKey is SKWGECXBXVFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(2)14-24(28)20-10-12-27(13-11-20)16-23-18(3)29-25(26-23)22-9-8-19-6-4-5-7-21(19)15-22/h4-9,15,17,20,24,28H,10-14,16H2,1-3H3.
What are the key properties of 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol?
3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol has a molecular weight of 392.54 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol is sourced from PubChem (CID 45242244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).