5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide

C21H22FN3O2 — CID 46097229

IUPAC5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccc(F)c2)c1C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C21H22FN3O2/c1-15-19(20(27-24-15)16-8-6-9-17(22)14-16)21(26)23-12-7-13-25(2)18-10-4-3-5-11-18/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,26)
InChIKeyGTWHIQPLYTUCCO-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.05
Rot. Bonds7

About 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide

5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097229) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide
PubChem CID46097229
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccc(F)c2)c1C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C21H22FN3O2/c1-15-19(20(27-24-15)16-8-6-9-17(22)14-16)21(26)23-12-7-13-25(2)18-10-4-3-5-11-18/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,26)
InChIKeyGTWHIQPLYTUCCO-UHFFFAOYSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide (CID 46097229) is 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccc(F)c2)c1C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GTWHIQPLYTUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-19(20(27-24-15)16-8-6-9-17(22)14-16)21(26)23-12-7-13-25(2)18-10-4-3-5-11-18/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,26).
What are the key properties of 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide?
5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-methyl-N-[3-(N-methylanilino)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).