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

C20H19N3O4 — CID 57393077

IUPAC5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19N3O4/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/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyTYFRDBKXTOLVSR-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.64
Rot. Bonds6

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

5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 57393077) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID57393077
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19N3O4/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/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyTYFRDBKXTOLVSR-UHFFFAOYSA-N
XLogP2.64
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.64
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)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 57393077) is 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]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)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TYFRDBKXTOLVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/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/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.64, 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)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57393077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).