N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid

C15H10F5N3O4 — CID 56587817

IUPACN-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESFC(F)Oc1cccc(Nc2noc3cccnc23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H9F2N3O2.C2HF3O2/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11;3-2(4,5)1(6)7/h1-7,13H,(H,17,18);(H,6,7)
InChIKeyHWPLMCFEAWNPNJ-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.20
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid

N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 56587817) has the molecular formula C15H10F5N3O4 and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID56587817
Molecular FormulaC15H10F5N3O4
Molecular Weight391.25 g/mol
Exact Mass391.06
IUPAC NameN-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESFC(F)Oc1cccc(Nc2noc3cccnc23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H9F2N3O2.C2HF3O2/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11;3-2(4,5)1(6)7/h1-7,13H,(H,17,18);(H,6,7)
InChIKeyHWPLMCFEAWNPNJ-UHFFFAOYSA-N
XLogP4.20
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 56587817) is N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid is FC(F)Oc1cccc(Nc2noc3cccnc23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HWPLMCFEAWNPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2.C2HF3O2/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11;3-2(4,5)1(6)7/h1-7,13H,(H,17,18);(H,6,7).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 391.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).