3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide

C22H21FN4O2 — CID 11494877

IUPAC3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4c(C)noc4C)n[nH]c3c2)c1
InChIInChI=1S/C22H21FN4O2/c1-5-24-22(28)15-8-17(11(2)18(23)9-15)14-6-7-16-19(10-14)25-26-21(16)20-12(3)27-29-13(20)4/h6-10H,5H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyQZUOJRFIRHIVTO-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.70
Rot. Bonds4

About 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide

3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide (PubChem CID 11494877) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
PubChem CID11494877
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4c(C)noc4C)n[nH]c3c2)c1
InChIInChI=1S/C22H21FN4O2/c1-5-24-22(28)15-8-17(11(2)18(23)9-15)14-6-7-16-19(10-14)25-26-21(16)20-12(3)27-29-13(20)4/h6-10H,5H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyQZUOJRFIRHIVTO-UHFFFAOYSA-N
XLogP4.70
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide (CID 11494877) is 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide is CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4c(C)noc4C)n[nH]c3c2)c1.
What is the InChIKey of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
The InChIKey is QZUOJRFIRHIVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-5-24-22(28)15-8-17(11(2)18(23)9-15)14-6-7-16-19(10-14)25-26-21(16)20-12(3)27-29-13(20)4/h6-10H,5H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide has a molecular weight of 392.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 11494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).