3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole

C21H25N3OS — CID 165425432

IUPAC3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1nc(C2(c3ccccc3)CCN(Cc3c(C)noc3C)CC2)cs1
InChIInChI=1S/C21H25N3OS/c1-15-19(16(2)25-23-15)13-24-11-9-21(10-12-24,18-7-5-4-6-8-18)20-14-26-17(3)22-20/h4-8,14H,9-13H2,1-3H3
InChIKeyYWXANESAQLZSBC-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.64
Rot. Bonds4

About 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 165425432) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
PubChem CID165425432
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1nc(C2(c3ccccc3)CCN(Cc3c(C)noc3C)CC2)cs1
InChIInChI=1S/C21H25N3OS/c1-15-19(16(2)25-23-15)13-24-11-9-21(10-12-24,18-7-5-4-6-8-18)20-14-26-17(3)22-20/h4-8,14H,9-13H2,1-3H3
InChIKeyYWXANESAQLZSBC-UHFFFAOYSA-N
XLogP4.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
CID 165423845
2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
CID 165420034
2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 165418252
2-methyl-4-[4-phenyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole;dihydrochloride
CID 166599617
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-phenylcyclopropyl)methanone
CID 75527459
4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165417813
4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole
CID 165427300
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
3-chloro-N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-phenylpiperidin-4-yl]thiophene-2-carboxamide
CID 171909624
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole (CID 165425432) is 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole is Cc1nc(C2(c3ccccc3)CCN(Cc3c(C)noc3C)CC2)cs1.
What is the InChIKey of 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is YWXANESAQLZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-15-19(16(2)25-23-15)13-24-11-9-21(10-12-24,18-7-5-4-6-8-18)20-14-26-17(3)22-20/h4-8,14H,9-13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 367.52 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 165425432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).