2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid

C18H12F3N3O5 — CID 170066391

IUPAC2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1O
InChIInChI=1S/C18H12F3N3O5/c19-18(20,21)11-3-1-9(2-4-11)12-6-14(29-24-12)10-5-13(25)16(22-7-10)17(28)23-8-15(26)27/h1-7,25H,8H2,(H,23,28)(H,26,27)
InChIKeyATRKQGPHDVIRSC-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.94
Rot. Bonds5

About 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 170066391) has the molecular formula C18H12F3N3O5 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID170066391
Molecular FormulaC18H12F3N3O5
Molecular Weight407.30 g/mol
Exact Mass407.07
IUPAC Name2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1O
InChIInChI=1S/C18H12F3N3O5/c19-18(20,21)11-3-1-9(2-4-11)12-6-14(29-24-12)10-5-13(25)16(22-7-10)17(28)23-8-15(26)27/h1-7,25H,8H2,(H,23,28)(H,26,27)
InChIKeyATRKQGPHDVIRSC-UHFFFAOYSA-N
XLogP2.94
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid (CID 170066391) is 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1O.
What is the InChIKey of 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is ATRKQGPHDVIRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O5/c19-18(20,21)11-3-1-9(2-4-11)12-6-14(29-24-12)10-5-13(25)16(22-7-10)17(28)23-8-15(26)27/h1-7,25H,8H2,(H,23,28)(H,26,27).
What are the key properties of 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 407.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 170066391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).