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

C19H28N6O4 — CID 140804181

IUPACtert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2nc3nc(N4CCOCC4)oc3cc2N)C1
InChIInChI=1S/C19H28N6O4/c1-19(2,3)29-18(26)21-12-4-5-25(11-12)16-13(20)10-14-15(22-16)23-17(28-14)24-6-8-27-9-7-24/h10,12H,4-9,11,20H2,1-3H3,(H,21,26)/t12-/m1/s1
InChIKeyQGSKJPKXUWJPDT-GFCCVEGCSA-N
MW404.47 g/mol
LogP1.75
Rot. Bonds3

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

tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate (PubChem CID 140804181) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
PubChem CID140804181
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC Nametert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2nc3nc(N4CCOCC4)oc3cc2N)C1
InChIInChI=1S/C19H28N6O4/c1-19(2,3)29-18(26)21-12-4-5-25(11-12)16-13(20)10-14-15(22-16)23-17(28-14)24-6-8-27-9-7-24/h10,12H,4-9,11,20H2,1-3H3,(H,21,26)/t12-/m1/s1
InChIKeyQGSKJPKXUWJPDT-GFCCVEGCSA-N
XLogP1.75
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-(2-morpholin-4-yl-6-nitro-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804142
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
tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate
CID 140804152
(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid
CID 175336680
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
tert-butyl N-[1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-yl]carbamate
CID 122613808
tert-butyl N-[1-(5-nitro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632088
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[1-(6-amino-5-formylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 58770008
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(6-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-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate (CID 140804181) is tert-butyl N-[(3R)-1-(6-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-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-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(c2nc3nc(N4CCOCC4)oc3cc2N)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is QGSKJPKXUWJPDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-19(2,3)29-18(26)21-12-4-5-25(11-12)16-13(20)10-14-15(22-16)23-17(28-14)24-6-8-27-9-7-24/h10,12H,4-9,11,20H2,1-3H3,(H,21,26)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 404.47 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 140804181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).