5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide

C20H26N2O3 — CID 46087151

IUPAC5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1
InChIInChI=1S/C20H26N2O3/c1-14(13-24-2)21-20(23)18-12-19(25-22-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyOWAKKNIZYNNRLJ-AWEZNQCLSA-N
MW342.44 g/mol
LogP4.15
Rot. Bonds6

About 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide

5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46087151) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID46087151
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1
InChIInChI=1S/C20H26N2O3/c1-14(13-24-2)21-20(23)18-12-19(25-22-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyOWAKKNIZYNNRLJ-AWEZNQCLSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide (CID 46087151) is 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide is COC[C@H](C)NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OWAKKNIZYNNRLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(13-24-2)21-20(23)18-12-19(25-22-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).