1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one

C26H28N4O4 — CID 10366990

IUPAC1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(c1nc2ncccc2o1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C26H28N4O4/c31-22(14-4-10-18-8-2-1-3-9-18)29-16-7-12-20(29)26(33)30-17-6-11-19(30)23(32)25-28-24-21(34-25)13-5-15-27-24/h1-3,5,8-9,13,15,19-20H,4,6-7,10-12,14,16-17H2/t19-,20-/m0/s1
InChIKeyIFFQYXRSJOEYOZ-PMACEKPBSA-N
MW460.53 g/mol
LogP3.41
Rot. Bonds7

About 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one

1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one (PubChem CID 10366990) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one
PubChem CID10366990
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(c1nc2ncccc2o1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C26H28N4O4/c31-22(14-4-10-18-8-2-1-3-9-18)29-16-7-12-20(29)26(33)30-17-6-11-19(30)23(32)25-28-24-21(34-25)13-5-15-27-24/h1-3,5,8-9,13,15,19-20H,4,6-7,10-12,14,16-17H2/t19-,20-/m0/s1
InChIKeyIFFQYXRSJOEYOZ-PMACEKPBSA-N
XLogP3.41
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one (CID 10366990) is 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one is O=C(c1nc2ncccc2o1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1.
What is the InChIKey of 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is IFFQYXRSJOEYOZ-PMACEKPBSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-22(14-4-10-18-8-2-1-3-9-18)29-16-7-12-20(29)26(33)30-17-6-11-19(30)23(32)25-28-24-21(34-25)13-5-15-27-24/h1-3,5,8-9,13,15,19-20H,4,6-7,10-12,14,16-17H2/t19-,20-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one?
1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 460.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-2-([1,3]oxazolo[4,5-b]pyridine-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 10366990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).