3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide

C18H24FN3O3 — CID 91946116

IUPAC3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCCCN2CCOCC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C18H24FN3O3/c1-18(13-16(21-25-18)14-4-2-5-15(19)12-14)17(23)20-6-3-7-22-8-10-24-11-9-22/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,23)
InChIKeyZHAXGMZVSIKBOV-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.55
Rot. Bonds6

About 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 91946116) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID91946116
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCCCN2CCOCC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C18H24FN3O3/c1-18(13-16(21-25-18)14-4-2-5-15(19)12-14)17(23)20-6-3-7-22-8-10-24-11-9-22/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,23)
InChIKeyZHAXGMZVSIKBOV-UHFFFAOYSA-N
XLogP1.55
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465699
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465686
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 143180178
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465709
(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465718
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide (CID 91946116) is 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NCCCN2CCOCC2)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is ZHAXGMZVSIKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-18(13-16(21-25-18)14-4-2-5-15(19)12-14)17(23)20-6-3-7-22-8-10-24-11-9-22/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,23).
What are the key properties of 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).