2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

C17H11F2N3O5 — CID 170066405

IUPAC2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc(-c3cc(F)cc(F)c3)no2)cc1O
InChIInChI=1S/C17H11F2N3O5/c18-10-1-8(2-11(19)4-10)12-5-14(27-22-12)9-3-13(23)16(20-6-9)17(26)21-7-15(24)25/h1-6,23H,7H2,(H,21,26)(H,24,25)
InChIKeyCJTPTPNTNZEEHN-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.20
Rot. Bonds5

About 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (PubChem CID 170066405) has the molecular formula C17H11F2N3O5 and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
PubChem CID170066405
Molecular FormulaC17H11F2N3O5
Molecular Weight375.29 g/mol
Exact Mass375.07
IUPAC Name2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc(-c3cc(F)cc(F)c3)no2)cc1O
InChIInChI=1S/C17H11F2N3O5/c18-10-1-8(2-11(19)4-10)12-5-14(27-22-12)9-3-13(23)16(20-6-9)17(26)21-7-15(24)25/h1-6,23H,7H2,(H,21,26)(H,24,25)
InChIKeyCJTPTPNTNZEEHN-UHFFFAOYSA-N
XLogP2.20
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (CID 170066405) is 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(-c2cc(-c3cc(F)cc(F)c3)no2)cc1O.
What is the InChIKey of 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The InChIKey is CJTPTPNTNZEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O5/c18-10-1-8(2-11(19)4-10)12-5-14(27-22-12)9-3-13(23)16(20-6-9)17(26)21-7-15(24)25/h1-6,23H,7H2,(H,21,26)(H,24,25).
What are the key properties of 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid has a molecular weight of 375.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 170066405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).