5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide

C20H25N3O4 — CID 57391298

IUPAC5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H25N3O4/c1-21-19(24)15-5-3-13(4-6-15)11-22-20(25)17-18(27-12-23-17)14-7-9-16(26-2)10-8-14/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRDDNWFZAOGLFIU-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.63
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 57391298) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID57391298
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H25N3O4/c1-21-19(24)15-5-3-13(4-6-15)11-22-20(25)17-18(27-12-23-17)14-7-9-16(26-2)10-8-14/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRDDNWFZAOGLFIU-UHFFFAOYSA-N
XLogP2.63
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide (CID 57391298) is 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide is CNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RDDNWFZAOGLFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-21-19(24)15-5-3-13(4-6-15)11-22-20(25)17-18(27-12-23-17)14-7-9-16(26-2)10-8-14/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57391298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).