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

C21H19N3O5 — CID 119357870

IUPAC4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)CCO1
InChIInChI=1S/C21H19N3O5/c25-20(24-8-9-28-16(11-24)21(26)27)14-10-15(12-6-7-12)22-19-17(14)18(23-29-19)13-4-2-1-3-5-13/h1-5,10,12,16H,6-9,11H2,(H,26,27)
InChIKeySBQXOCZJRKBQQJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.69
Rot. Bonds4

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

4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119357870) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID119357870
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)CCO1
InChIInChI=1S/C21H19N3O5/c25-20(24-8-9-28-16(11-24)21(26)27)14-10-15(12-6-7-12)22-19-17(14)18(23-29-19)13-4-2-1-3-5-13/h1-5,10,12,16H,6-9,11H2,(H,26,27)
InChIKeySBQXOCZJRKBQQJ-UHFFFAOYSA-N
XLogP2.69
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid (CID 119357870) is 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)CCO1.
What is the InChIKey of 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is SBQXOCZJRKBQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-20(24-8-9-28-16(11-24)21(26)27)14-10-15(12-6-7-12)22-19-17(14)18(23-29-19)13-4-2-1-3-5-13/h1-5,10,12,16H,6-9,11H2,(H,26,27).
What are the key properties of 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 393.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119357870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).