5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

C21H21N3O3 — CID 1241125

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O3/c1-15-19(20(23-27-15)16-5-3-2-4-6-16)21(25)22-17-7-9-18(10-8-17)24-11-13-26-14-12-24/h2-10H,11-14H2,1H3,(H,22,25)
InChIKeySSVXTBIWZSZQKW-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.74
Rot. Bonds4

About 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1241125) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1241125
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O3/c1-15-19(20(23-27-15)16-5-3-2-4-6-16)21(25)22-17-7-9-18(10-8-17)24-11-13-26-14-12-24/h2-10H,11-14H2,1H3,(H,22,25)
InChIKeySSVXTBIWZSZQKW-UHFFFAOYSA-N
XLogP3.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 1241125) is 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is SSVXTBIWZSZQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-19(20(23-27-15)16-5-3-2-4-6-16)21(25)22-17-7-9-18(10-8-17)24-11-13-26-14-12-24/h2-10H,11-14H2,1H3,(H,22,25).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1241125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).