3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile

C23H21FN4O2 — CID 172582972

IUPAC3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
SMILESCc1ccc2nn(C3CC(C(=O)N4OCCC4c4cc(F)cc(C#N)c4)C3)cc2c1
InChIInChI=1S/C23H21FN4O2/c1-14-2-3-21-18(6-14)13-27(26-21)20-10-17(11-20)23(29)28-22(4-5-30-28)16-7-15(12-25)8-19(24)9-16/h2-3,6-9,13,17,20,22H,4-5,10-11H2,1H3
InChIKeyHCNDFQAPNPHPLA-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.21
Rot. Bonds3

About 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile

3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile (PubChem CID 172582972) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
PubChem CID172582972
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
SMILESCc1ccc2nn(C3CC(C(=O)N4OCCC4c4cc(F)cc(C#N)c4)C3)cc2c1
InChIInChI=1S/C23H21FN4O2/c1-14-2-3-21-18(6-14)13-27(26-21)20-10-17(11-20)23(29)28-22(4-5-30-28)16-7-15(12-25)8-19(24)9-16/h2-3,6-9,13,17,20,22H,4-5,10-11H2,1H3
InChIKeyHCNDFQAPNPHPLA-UHFFFAOYSA-N
XLogP4.21
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-5-[(3S)-2-[4-[(5-fluoroindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581829
3-[2-(cyclohexanecarbonyl)-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile
CID 172582946
3-fluoro-5-[(3S)-2-[4-[(3-methylindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581608
3-[(3S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile;hydrochloride
CID 172582814
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170776244
1-[[4-[(3S)-3-(3-cyano-5-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-6-fluoroindazole-5-carbonitrile
CID 172581754
3-fluoro-5-[(3S)-2-[4-[(5-methoxypyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172582101
3-fluoro-5-[(3S)-2-[1-(5-fluoro-6-methoxypyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170957536
1-[[4-[(3S)-3-(3-cyano-5-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-4-fluoro-3-methylindazole-6-carboxamide
CID 172581928
3-[[4-[(3S)-3-(3-cyano-5-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-5-fluoro-N-methylbenzamide
CID 172582002
1-[[4-[(3S)-3-(3-cyano-5-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-6-fluorobenzimidazole-5-carboxamide
CID 172581708
3-[(3S)-2-[4-[5-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-fluorophenoxy]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile
CID 172582808

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile (CID 172582972) is 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile is Cc1ccc2nn(C3CC(C(=O)N4OCCC4c4cc(F)cc(C#N)c4)C3)cc2c1.
What is the InChIKey of 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
The InChIKey is HCNDFQAPNPHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-2-3-21-18(6-14)13-27(26-21)20-10-17(11-20)23(29)28-22(4-5-30-28)16-7-15(12-25)8-19(24)9-16/h2-3,6-9,13,17,20,22H,4-5,10-11H2,1H3.
What are the key properties of 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile has a molecular weight of 404.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[3-(5-methylindazol-2-yl)cyclobutanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 172582972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).