N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C23H20F3N3O2 — CID 53382893

IUPACN-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2/c1-2-3-11-27-21(30)19-20(15-8-6-9-16(12-15)23(24,25)26)31-22(29-19)18-13-14-7-4-5-10-17(14)28-18/h4-10,12-13,28H,2-3,11H2,1H3,(H,27,30)
InChIKeySYECLIDHNJBKGD-UHFFFAOYSA-N
MW427.43 g/mol
LogP6.04
Rot. Bonds6

About N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53382893) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53382893
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC NameN-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2/c1-2-3-11-27-21(30)19-20(15-8-6-9-16(12-15)23(24,25)26)31-22(29-19)18-13-14-7-4-5-10-17(14)28-18/h4-10,12-13,28H,2-3,11H2,1H3,(H,27,30)
InChIKeySYECLIDHNJBKGD-UHFFFAOYSA-N
XLogP6.04
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53382893) is N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SYECLIDHNJBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-2-3-11-27-21(30)19-20(15-8-6-9-16(12-15)23(24,25)26)31-22(29-19)18-13-14-7-4-5-10-17(14)28-18/h4-10,12-13,28H,2-3,11H2,1H3,(H,27,30).
What are the key properties of N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1H-indol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53382893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).