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

C19H26FN3O3 — CID 55644565

IUPAC3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C(CNC(=O)C1CC(c2cccc(F)c2)=NO1)N1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-13(2)17(23-6-8-25-9-7-23)12-21-19(24)18-11-16(22-26-18)14-4-3-5-15(20)10-14/h3-5,10,13,17-18H,6-9,11-12H2,1-2H3,(H,21,24)
InChIKeyQOURNHCHKFQSNE-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.79
Rot. Bonds6

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

3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55644565) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55644565
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C(CNC(=O)C1CC(c2cccc(F)c2)=NO1)N1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-13(2)17(23-6-8-25-9-7-23)12-21-19(24)18-11-16(22-26-18)14-4-3-5-15(20)10-14/h3-5,10,13,17-18H,6-9,11-12H2,1-2H3,(H,21,24)
InChIKeyQOURNHCHKFQSNE-UHFFFAOYSA-N
XLogP1.79
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55667940
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
(5R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94630248
N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427997
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
(5R)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 38997214
(5R)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 38997216
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071831
(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94658417
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55644565) is 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C(CNC(=O)C1CC(c2cccc(F)c2)=NO1)N1CCOCC1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QOURNHCHKFQSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-13(2)17(23-6-8-25-9-7-23)12-21-19(24)18-11-16(22-26-18)14-4-3-5-15(20)10-14/h3-5,10,13,17-18H,6-9,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55644565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).