2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide

C14H8F3N3O3 — CID 135658569

IUPAC2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)13(22)19-7-1-2-8(10(21)5-7)12-20-9-6-18-4-3-11(9)23-12/h1-6,21H,(H,19,22)
InChIKeyPWXMATBPKAZITR-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.10
Rot. Bonds2

About 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide (PubChem CID 135658569) has the molecular formula C14H8F3N3O3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
PubChem CID135658569
Molecular FormulaC14H8F3N3O3
Molecular Weight323.23 g/mol
Exact Mass323.05
IUPAC Name2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)13(22)19-7-1-2-8(10(21)5-7)12-20-9-6-18-4-3-11(9)23-12/h1-6,21H,(H,19,22)
InChIKeyPWXMATBPKAZITR-UHFFFAOYSA-N
XLogP3.10
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135655820
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 135654760
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 9203602
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 135654563
2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135654510
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,2,2-trichloroacetamide
CID 1363966
3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 135655445
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide (CID 135658569) is 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide is O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The InChIKey is PWXMATBPKAZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3/c15-14(16,17)13(22)19-7-1-2-8(10(21)5-7)12-20-9-6-18-4-3-11(9)23-12/h1-6,21H,(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide has a molecular weight of 323.23 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 135658569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).