(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid

C21H19N3O4 — CID 125149055

IUPAC(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)C1
InChIInChI=1S/C21H19N3O4/c25-20(24-9-8-14(11-24)21(26)27)15-10-16(12-6-7-12)22-19-17(15)18(23-28-19)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,26,27)/t14-/m1/s1
InChIKeyRARLGXSEBUSLEE-CQSZACIVSA-N
MW377.40 g/mol
LogP3.31
Rot. Bonds4

About (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 125149055) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID125149055
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)C1
InChIInChI=1S/C21H19N3O4/c25-20(24-9-8-14(11-24)21(26)27)15-10-16(12-6-7-12)22-19-17(15)18(23-28-19)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,26,27)/t14-/m1/s1
InChIKeyRARLGXSEBUSLEE-CQSZACIVSA-N
XLogP3.31
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922606
4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 119357870
N-cyclopropyl-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 55903387
[6-cyclopropyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315535
azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 171315394
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 167828807
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167969902
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55777328
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
[6-cyclopropyl-3-(furan-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 51081112
(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55756409

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 125149055) is (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)C1.
What is the InChIKey of (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RARLGXSEBUSLEE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(24-9-8-14(11-24)21(26)27)15-10-16(12-6-7-12)22-19-17(15)18(23-28-19)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,26,27)/t14-/m1/s1.
What are the key properties of (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125149055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).