2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid

C15H19N5O5 — CID 26745149

IUPAC2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid
SMILESCC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2C(=O)COCC(=O)O)n1
InChIInChI=1S/C15H19N5O5/c1-8(2)14-18-15(25-19-14)11-3-9-10(17-7-16-9)4-20(11)12(21)5-24-6-13(22)23/h7-8,11H,3-6H2,1-2H3,(H,16,17)(H,22,23)/t11-/m0/s1
InChIKeyZPBFCHJSHMPGIY-NSHDSACASA-N
MW349.35 g/mol
LogP0.64
Rot. Bonds6

About 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid

2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid (PubChem CID 26745149) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid
PubChem CID26745149
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Name2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid
SMILESCC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2C(=O)COCC(=O)O)n1
InChIInChI=1S/C15H19N5O5/c1-8(2)14-18-15(25-19-14)11-3-9-10(17-7-16-9)4-20(11)12(21)5-24-6-13(22)23/h7-8,11H,3-6H2,1-2H3,(H,16,17)(H,22,23)/t11-/m0/s1
InChIKeyZPBFCHJSHMPGIY-NSHDSACASA-N
XLogP0.64
TPSA134.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid (CID 26745149) is 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid is CC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2C(=O)COCC(=O)O)n1.
What is the InChIKey of 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid?
The InChIKey is ZPBFCHJSHMPGIY-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O5/c1-8(2)14-18-15(25-19-14)11-3-9-10(17-7-16-9)4-20(11)12(21)5-24-6-13(22)23/h7-8,11H,3-6H2,1-2H3,(H,16,17)(H,22,23)/t11-/m0/s1.
What are the key properties of 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid?
2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid has a molecular weight of 349.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethoxy]acetic acid is sourced from PubChem (CID 26745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).