N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C21H19FN4O3 — CID 146126737

IUPACN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-16-4-6-18(7-5-16)26-11-9-17(24-26)8-10-23-20(27)15-2-1-3-19(14-15)25-12-13-29-21(25)28/h1-7,9,11,14H,8,10,12-13H2,(H,23,27)
InChIKeyADEPSCPCNAXMCU-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.94
Rot. Bonds6

About N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 146126737) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID146126737
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-16-4-6-18(7-5-16)26-11-9-17(24-26)8-10-23-20(27)15-2-1-3-19(14-15)25-12-13-29-21(25)28/h1-7,9,11,14H,8,10,12-13H2,(H,23,27)
InChIKeyADEPSCPCNAXMCU-UHFFFAOYSA-N
XLogP2.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
CID 55688065
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86836373
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86940735

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 146126737) is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is ADEPSCPCNAXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-4-6-18(7-5-16)26-11-9-17(24-26)8-10-23-20(27)15-2-1-3-19(14-15)25-12-13-29-21(25)28/h1-7,9,11,14H,8,10,12-13H2,(H,23,27).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 394.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 146126737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).