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

C19H20FN3O2 — CID 16677282

IUPAC3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)NCCCc1ccccn1
InChIInChI=1S/C19H20FN3O2/c1-13-17(14-7-9-15(20)10-8-14)23-25-18(13)19(24)22-12-4-6-16-5-2-3-11-21-16/h2-3,5,7-11,13,18H,4,6,12H2,1H3,(H,22,24)
InChIKeyVIRHCLLNNZQLFA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.71
Rot. Bonds6

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

3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16677282) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16677282
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)NCCCc1ccccn1
InChIInChI=1S/C19H20FN3O2/c1-13-17(14-7-9-15(20)10-8-14)23-25-18(13)19(24)22-12-4-6-16-5-2-3-11-21-16/h2-3,5,7-11,13,18H,4,6,12H2,1H3,(H,22,24)
InChIKeyVIRHCLLNNZQLFA-UHFFFAOYSA-N
XLogP2.71
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-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

3-(3-bromophenyl)-N-(3-pyridinylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962230
Gsk-3117391
CID 53630042
N-(2-fluorophenyl)-2-{[3-(3-pyridinyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1-hydrazinecarboxamide
CID 3799825
N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide
CID 154665764
2-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 3247270
(4Z)-4-butylidene-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725183
(2R,4S,5S)-5-[[(2S)-5-fluoro-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]pentanoyl]amino]-2-(3-fluoropropyl)-4-hydroxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-6-phenylhexanamide
CID 44318084
(2R,4S,5S)-4-hydroxy-2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-6-phenyl-5-[[(2S)-2-[[(2S)-4,4,4-trifluoro-2-hydroxybutanoyl]amino]propanoyl]amino]hexanamide
CID 44318126
trans-(1S,2S)-N-[4-[(1S)-1-[(2-methoxyacetyl)amino]ethyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 145967362
3-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2974813
3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158089
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245207

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16677282) is 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1C(c2ccc(F)cc2)=NOC1C(=O)NCCCc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VIRHCLLNNZQLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-17(14-7-9-15(20)10-8-14)23-25-18(13)19(24)22-12-4-6-16-5-2-3-11-21-16/h2-3,5,7-11,13,18H,4,6,12H2,1H3,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-(3-pyridin-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16677282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).