(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C20H19N3O3 — CID 71922606

IUPAC(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nc2onc(-c3ccccc3)c12)N1CC[C@H](O)C1
InChIInChI=1S/C20H19N3O3/c24-14-8-9-23(11-14)20(25)15-10-16(12-6-7-12)21-19-17(15)18(22-26-19)13-4-2-1-3-5-13/h1-5,10,12,14,24H,6-9,11H2/t14-/m0/s1
InChIKeyJAGNXAHOXPNVHV-AWEZNQCLSA-N
MW349.39 g/mol
LogP2.97
Rot. Bonds3

About (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 71922606) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID71922606
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nc2onc(-c3ccccc3)c12)N1CC[C@H](O)C1
InChIInChI=1S/C20H19N3O3/c24-14-8-9-23(11-14)20(25)15-10-16(12-6-7-12)21-19-17(15)18(22-26-19)13-4-2-1-3-5-13/h1-5,10,12,14,24H,6-9,11H2/t14-/m0/s1
InChIKeyJAGNXAHOXPNVHV-AWEZNQCLSA-N
XLogP2.97
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 71922606) is (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cc(C2CC2)nc2onc(-c3ccccc3)c12)N1CC[C@H](O)C1.
What is the InChIKey of (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is JAGNXAHOXPNVHV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-14-8-9-23(11-14)20(25)15-10-16(12-6-7-12)21-19-17(15)18(22-26-19)13-4-2-1-3-5-13/h1-5,10,12,14,24H,6-9,11H2/t14-/m0/s1.
What are the key properties of (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 71922606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).