N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

C28H32N4O2S — CID 59570261

IUPACN-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCCc1ccccc1C1CC(c2csc(C3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)=NO1
InChIInChI=1S/C28H32N4O2S/c1-4-20-7-5-6-8-22(20)26-16-24(31-34-26)25-17-35-27(29-25)21-11-13-32(14-12-21)28(33)30-23-15-18(2)9-10-19(23)3/h5-10,15,17,21,26H,4,11-14,16H2,1-3H3,(H,30,33)
InChIKeyXPTPXENCSQAWPE-UHFFFAOYSA-N
MW488.66 g/mol
LogP6.60
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 59570261) has the molecular formula C28H32N4O2S and a molecular weight of 488.66 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID59570261
Molecular FormulaC28H32N4O2S
Molecular Weight488.66 g/mol
Exact Mass488.22
IUPAC NameN-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCCc1ccccc1C1CC(c2csc(C3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)=NO1
InChIInChI=1S/C28H32N4O2S/c1-4-20-7-5-6-8-22(20)26-16-24(31-34-26)25-17-35-27(29-25)21-11-13-32(14-12-21)28(33)30-23-15-18(2)9-10-19(23)3/h5-10,15,17,21,26H,4,11-14,16H2,1-3H3,(H,30,33)
InChIKeyXPTPXENCSQAWPE-UHFFFAOYSA-N
XLogP6.60
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 59570261) is N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is CCc1ccccc1C1CC(c2csc(C3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)=NO1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is XPTPXENCSQAWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2S/c1-4-20-7-5-6-8-22(20)26-16-24(31-34-26)25-17-35-27(29-25)21-11-13-32(14-12-21)28(33)30-23-15-18(2)9-10-19(23)3/h5-10,15,17,21,26H,4,11-14,16H2,1-3H3,(H,30,33).
What are the key properties of N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 488.66 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[4-[5-(2-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 59570261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).