5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide

C20H18FN3O3 — CID 176672689

IUPAC5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1
InChIInChI=1S/C20H18FN3O3/c1-13(25)15-4-6-16(7-5-15)19-18(24-12-27-19)20(26)23-8-2-3-14-9-17(21)11-22-10-14/h4-7,9-12H,2-3,8H2,1H3,(H,23,26)
InChIKeyAMFYUKJEBRYNFQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.44
Rot. Bonds7

About 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide

5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 176672689) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID176672689
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1
InChIInChI=1S/C20H18FN3O3/c1-13(25)15-4-6-16(7-5-15)19-18(24-12-27-19)20(26)23-8-2-3-14-9-17(21)11-22-10-14/h4-7,9-12H,2-3,8H2,1H3,(H,23,26)
InChIKeyAMFYUKJEBRYNFQ-UHFFFAOYSA-N
XLogP3.44
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.44
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

N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672661
ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 176672630
N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
CID 176672613
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 54185529
N-[(2R)-1-[2-(5-fluoro-3-pyridinyl)ethyl]-2-hydroxycyclopropyl]-5-(3-iodo-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672720
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide (CID 176672689) is 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AMFYUKJEBRYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13(25)15-4-6-16(7-5-15)19-18(24-12-27-19)20(26)23-8-2-3-14-9-17(21)11-22-10-14/h4-7,9-12H,2-3,8H2,1H3,(H,23,26).
What are the key properties of 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176672689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).