5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide

C16H12F3N3O3 — CID 129045187

IUPAC5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
SMILESO=C(Nc1cc(C2(C(F)(F)F)CC2)on1)n1ccc2cc(O)ccc21
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)15(4-5-15)12-8-13(21-25-12)20-14(24)22-6-3-9-7-10(23)1-2-11(9)22/h1-3,6-8,23H,4-5H2,(H,20,21,24)
InChIKeyFOQUCXOYTUGQEV-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.01
Rot. Bonds2

About 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide

5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide (PubChem CID 129045187) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
PubChem CID129045187
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
SMILESO=C(Nc1cc(C2(C(F)(F)F)CC2)on1)n1ccc2cc(O)ccc21
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)15(4-5-15)12-8-13(21-25-12)20-14(24)22-6-3-9-7-10(23)1-2-11(9)22/h1-3,6-8,23H,4-5H2,(H,20,21,24)
InChIKeyFOQUCXOYTUGQEV-UHFFFAOYSA-N
XLogP4.01
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide (CID 129045187) is 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide is O=C(Nc1cc(C2(C(F)(F)F)CC2)on1)n1ccc2cc(O)ccc21.
What is the InChIKey of 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
The InChIKey is FOQUCXOYTUGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c17-16(18,19)15(4-5-15)12-8-13(21-25-12)20-14(24)22-6-3-9-7-10(23)1-2-11(9)22/h1-3,6-8,23H,4-5H2,(H,20,21,24).
What are the key properties of 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide?
5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 129045187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).