1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide

C20H25N3O3 — CID 109150712

IUPAC1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCC(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-12-8-13(2)10-17(9-12)21-19(24)15-4-6-16(7-5-15)20(25)22-18-11-14(3)26-23-18/h8-11,15-16H,4-7H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyJNVRASDECPBVPJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.98
Rot. Bonds4

About 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide

1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150712) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
PubChem CID109150712
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCC(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-12-8-13(2)10-17(9-12)21-19(24)15-4-6-16(7-5-15)20(25)22-18-11-14(3)26-23-18/h8-11,15-16H,4-7H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyJNVRASDECPBVPJ-UHFFFAOYSA-N
XLogP3.98
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (CID 109150712) is 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is Cc1cc(C)cc(NC(=O)C2CCC(C(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is JNVRASDECPBVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-8-13(2)10-17(9-12)21-19(24)15-4-6-16(7-5-15)20(25)22-18-11-14(3)26-23-18/h8-11,15-16H,4-7H2,1-3H3,(H,21,24)(H,22,23,25).
What are the key properties of 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).