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

C18H22FN3O3 — CID 46096716

IUPAC5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccc(F)c2)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-13-16(17(25-21-13)14-4-2-5-15(19)12-14)18(23)20-6-3-7-22-8-10-24-11-9-22/h2,4-5,12H,3,6-11H2,1H3,(H,20,23)
InChIKeyNWGPPBUDYGCSMN-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.24
Rot. Bonds6

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

5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 46096716) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID46096716
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccc(F)c2)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-13-16(17(25-21-13)14-4-2-5-15(19)12-14)18(23)20-6-3-7-22-8-10-24-11-9-22/h2,4-5,12H,3,6-11H2,1H3,(H,20,23)
InChIKeyNWGPPBUDYGCSMN-UHFFFAOYSA-N
XLogP2.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46093851
3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 91946116
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
N-(2-benzylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097230
1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928060
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096840
5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097261
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide (CID 46096716) is 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccc(F)c2)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NWGPPBUDYGCSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13-16(17(25-21-13)14-4-2-5-15(19)12-14)18(23)20-6-3-7-22-8-10-24-11-9-22/h2,4-5,12H,3,6-11H2,1H3,(H,20,23).
What are the key properties of 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).