4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide

C20H16FN3O2 — CID 86763260

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(N)=O)c2[nH]c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN3O2/c1-10-18(11(2)26-24-10)14-7-8-15(20(22)25)19-16(14)9-17(23-19)12-3-5-13(21)6-4-12/h3-9,23H,1-2H3,(H2,22,25)
InChIKeyNICNQYVWCOONIF-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.34
Rot. Bonds3

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide

4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide (PubChem CID 86763260) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide
PubChem CID86763260
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(N)=O)c2[nH]c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN3O2/c1-10-18(11(2)26-24-10)14-7-8-15(20(22)25)19-16(14)9-17(23-19)12-3-5-13(21)6-4-12/h3-9,23H,1-2H3,(H2,22,25)
InChIKeyNICNQYVWCOONIF-UHFFFAOYSA-N
XLogP4.34
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide (CID 86763260) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide is Cc1noc(C)c1-c1ccc(C(N)=O)c2[nH]c(-c3ccc(F)cc3)cc12.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide?
The InChIKey is NICNQYVWCOONIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-10-18(11(2)26-24-10)14-7-8-15(20(22)25)19-16(14)9-17(23-19)12-3-5-13(21)6-4-12/h3-9,23H,1-2H3,(H2,22,25).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 86763260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).