4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one

C20H19FN4O2 — CID 135338561

IUPAC4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCn1nccc1-c1ccc(N2C(=O)OCC2CNc2ccccc2)cc1F
InChIInChI=1S/C20H19FN4O2/c1-24-19(9-10-23-24)17-8-7-15(11-18(17)21)25-16(13-27-20(25)26)12-22-14-5-3-2-4-6-14/h2-11,16,22H,12-13H2,1H3
InChIKeyAYEFVPXBWKXFSC-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.66
Rot. Bonds5

About 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one

4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 135338561) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID135338561
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCn1nccc1-c1ccc(N2C(=O)OCC2CNc2ccccc2)cc1F
InChIInChI=1S/C20H19FN4O2/c1-24-19(9-10-23-24)17-8-7-15(11-18(17)21)25-16(13-27-20(25)26)12-22-14-5-3-2-4-6-14/h2-11,16,22H,12-13H2,1H3
InChIKeyAYEFVPXBWKXFSC-UHFFFAOYSA-N
XLogP3.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Radezolid
CID 11224409
Rwj-416457
CID 15984076
N-[3-(2-Fluoro-4'-{[(1H-[1,2,3]triazol-4-ylmethyl)-amino]-methyl}-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 22274119
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
3-[2-({[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16189204
3-[2-({[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16189815
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 24817304
propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
CID 155518798
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477479
US10323022, Example 648
CID 71015398
US10323022, Example 649
CID 71041139

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one (CID 135338561) is 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one is Cn1nccc1-c1ccc(N2C(=O)OCC2CNc2ccccc2)cc1F.
What is the InChIKey of 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is AYEFVPXBWKXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-24-19(9-10-23-24)17-8-7-15(11-18(17)21)25-16(13-27-20(25)26)12-22-14-5-3-2-4-6-14/h2-11,16,22H,12-13H2,1H3.
What are the key properties of 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 366.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135338561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).