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

C20H25N3O3 — CID 109150775

IUPAC1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C20H25N3O3/c1-3-14-6-4-5-7-17(14)21-19(24)15-8-10-16(11-9-15)20(25)22-18-12-13(2)26-23-18/h4-7,12,15-16H,3,8-11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyWQNVAWFMJQJIPO-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.93
Rot. Bonds5

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

1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150775) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
PubChem CID109150775
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C20H25N3O3/c1-3-14-6-4-5-7-17(14)21-19(24)15-8-10-16(11-9-15)20(25)22-18-12-13(2)26-23-18/h4-7,12,15-16H,3,8-11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyWQNVAWFMJQJIPO-UHFFFAOYSA-N
XLogP3.93
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32741538
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076
N-(5-methyl-1,2-oxazol-3-yl)-3-phenylcyclobutane-1-carboxamide
CID 154775274
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (CID 109150775) is 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is CCc1ccccc1NC(=O)C1CCC(C(=O)Nc2cc(C)on2)CC1.
What is the InChIKey of 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WQNVAWFMJQJIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-14-6-4-5-7-17(14)21-19(24)15-8-10-16(11-9-15)20(25)22-18-12-13(2)26-23-18/h4-7,12,15-16H,3,8-11H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).