2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide

C23H21FN4O3 — CID 90375974

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c3ccc(C(=O)N4CC(F)C4)cc3c12
InChIInChI=1S/C23H21FN4O3/c1-11-20(12(2)31-27-11)14-7-17(22(29)25-3)21-16-6-13(23(30)28-9-15(24)10-28)4-5-18(16)26-19(21)8-14/h4-8,15,26H,9-10H2,1-3H3,(H,25,29)
InChIKeyZZGYLIUMKKQVCL-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.75
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide (PubChem CID 90375974) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide
PubChem CID90375974
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c3ccc(C(=O)N4CC(F)C4)cc3c12
InChIInChI=1S/C23H21FN4O3/c1-11-20(12(2)31-27-11)14-7-17(22(29)25-3)21-16-6-13(23(30)28-9-15(24)10-28)4-5-18(16)26-19(21)8-14/h4-8,15,26H,9-10H2,1-3H3,(H,25,29)
InChIKeyZZGYLIUMKKQVCL-UHFFFAOYSA-N
XLogP3.75
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methylcarbazole-4-carboxamide
CID 90375741
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-9-[(3-fluorophenyl)methyl]-N-methylcarbazole-4-carboxamide
CID 90376286
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90376112
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90375907
tert-butyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-9-[(4-fluorophenyl)methyl]carbazole-4-carboxylate
CID 90376024
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
2-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-4-carboxamide
CID 141409165
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
CID 90376698
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
CID 141418557
9-[(2,6-difluorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoropyrrolidine-1-carbonyl)carbazole-4-carboxamide
CID 90375703
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide
CID 118644502
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide (CID 90375974) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide is CNC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c3ccc(C(=O)N4CC(F)C4)cc3c12.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide?
The InChIKey is ZZGYLIUMKKQVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-11-20(12(2)31-27-11)14-7-17(22(29)25-3)21-16-6-13(23(30)28-9-15(24)10-28)4-5-18(16)26-19(21)8-14/h4-8,15,26H,9-10H2,1-3H3,(H,25,29).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide is sourced from PubChem (CID 90375974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).