N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H23N3O2 — CID 753168

IUPACN-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H23N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-21(25)19-15(3)26-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)
InChIKeyUDDOZWWBHVIGDS-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.75
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 753168) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID753168
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H23N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-21(25)19-15(3)26-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)
InChIKeyUDDOZWWBHVIGDS-UHFFFAOYSA-N
XLogP4.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 753168) is N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is UDDOZWWBHVIGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-21(25)19-15(3)26-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 753168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).