tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate

C29H34N8O6 — CID 140804183

About tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate (PubChem CID 140804183) has the molecular formula C29H34N8O6 and a molecular weight of 590.64 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate
• PubChem CID: 140804183
• Molecular Formula: C29H34N8O6
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.26
• IUPAC Name: tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](NC(=O)OC(C)(C)C)C3)co2)ccn1
• InChI: InChI=1S/C29H34N8O6/c1-17-13-18(5-7-30-17)26-33-21(16-41-26)25(38)32-20-14-22-23(35-27(42-22)36-9-11-40-12-10-36)34-24(20)37-8-6-19(15-37)31-28(39)43-29(2,3)4/h5,7,13-14,16,19H,6,8-12,15H2,1-4H3,(H,31,39)(H,32,38)/t19-/m1/s1
• InChIKey: HQPSAGPNGWMBLU-LJQANCHMSA-N
• XLogP: 3.77
• TPSA: 160.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate (CID 140804183) is tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate is Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](NC(=O)OC(C)(C)C)C3)co2)ccn1.

What is the InChIKey of tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate?

The InChIKey is HQPSAGPNGWMBLU-LJQANCHMSA-N. The full InChI is InChI=1S/C29H34N8O6/c1-17-13-18(5-7-30-17)26-33-21(16-41-26)25(38)32-20-14-22-23(35-27(42-22)36-9-11-40-12-10-36)34-24(20)37-8-6-19(15-37)31-28(39)43-29(2,3)4/h5,7,13-14,16,19H,6,8-12,15H2,1-4H3,(H,31,39)(H,32,38)/t19-/m1/s1.

What are the key properties of tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate?

tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 590.64 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 140804183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).