1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C22H21N5O2S — CID 23791495

IUPAC1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)c3cnc[nH]3)CC2)n1
InChIInChI=1S/C22H21N5O2S/c1-14-19(20(26-29-14)15-5-3-2-4-6-15)18-12-30-21(25-18)16-7-9-27(10-8-16)22(28)17-11-23-13-24-17/h2-6,11-13,16H,7-10H2,1H3,(H,23,24)
InChIKeyLWNDJSXOHLBNSX-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.52
Rot. Bonds4

About 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 23791495) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID23791495
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)c3cnc[nH]3)CC2)n1
InChIInChI=1S/C22H21N5O2S/c1-14-19(20(26-29-14)15-5-3-2-4-6-15)18-12-30-21(25-18)16-7-9-27(10-8-16)22(28)17-11-23-13-24-17/h2-6,11-13,16H,7-10H2,1H3,(H,23,24)
InChIKeyLWNDJSXOHLBNSX-UHFFFAOYSA-N
XLogP4.52
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3838705
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(5-nitro-1H-pyrazol-3-yl)methanone
CID 135530381
methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate
CID 4658166
2-amino-5-[2-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-4-one
CID 74225154
[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 155983856
1-[4-[4-[5-methyl-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 11238708
1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 23857613
4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine
CID 4984355
[2-methoxy-4-[3-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-1-enyl]phenyl] acetate
CID 3727595
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3866503
1-[4-[4-[5-methyl-3-[3-(4-methylsulfonylphenyl)phenyl]-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 11307962
1-[4-[4-[3-[3-(4-isocyanophenyl)phenyl]-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 59646762

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 23791495) is 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is Cc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)c3cnc[nH]3)CC2)n1.
What is the InChIKey of 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LWNDJSXOHLBNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-14-19(20(26-29-14)15-5-3-2-4-6-15)18-12-30-21(25-18)16-7-9-27(10-8-16)22(28)17-11-23-13-24-17/h2-6,11-13,16H,7-10H2,1H3,(H,23,24).
What are the key properties of 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 419.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 23791495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).