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

C20H19FN4O3 — CID 176672708

IUPAC5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1
InChIInChI=1S/C20H19FN4O3/c1-13(26)25-17-6-4-15(5-7-17)19-18(24-12-28-19)20(27)23-8-2-3-14-9-16(21)11-22-10-14/h4-7,9-12H,2-3,8H2,1H3,(H,23,27)(H,25,26)
InChIKeyCHLGWKGWASVEOG-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.20
Rot. Bonds7

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

5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 176672708) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID176672708
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1
InChIInChI=1S/C20H19FN4O3/c1-13(26)25-17-6-4-15(5-7-17)19-18(24-12-28-19)20(27)23-8-2-3-14-9-16(21)11-22-10-14/h4-7,9-12H,2-3,8H2,1H3,(H,23,27)(H,25,26)
InChIKeyCHLGWKGWASVEOG-UHFFFAOYSA-N
XLogP3.20
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
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-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 86582964
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 117800355
(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
CID 121363302
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901446
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901447
5-(4-Methoxyphenyl)-N-(Pyridin-4-Ylmethyl)-1,3-Oxazole-4-Carboxamide
CID 56643097
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
5-(2-Fluoro-phenyl)-oxazole-4-carboxylic acid indan-5-ylamide
CID 6489702
N-tert-butyl-N'-[3-methoxy-4-(5-oxazolyl)phenyl]oxalamide
CID 9797026
N-(2-Dimethylamino-1,1-dimethyl-ethyl)-N''-(3-methoxy-4-oxazol-5-yl-phenyl)-oxalamide
CID 9798978

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide (CID 176672708) is 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CHLGWKGWASVEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13(26)25-17-6-4-15(5-7-17)19-18(24-12-28-19)20(27)23-8-2-3-14-9-16(21)11-22-10-14/h4-7,9-12H,2-3,8H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176672708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).