N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide

C21H24N6O5 — CID 118224421

IUPACN-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2nc1C1CC1)c1coc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C21H24N6O5/c28-13-3-4-27(10-13)20-23-15(11-31-20)19(29)22-14-9-16-18(24-17(14)12-1-2-12)25-21(32-16)26-5-7-30-8-6-26/h9,11-13,28H,1-8,10H2,(H,22,29)/t13-/m0/s1
InChIKeyZKOJOXJWXVSYTL-ZDUSSCGKSA-N
MW440.46 g/mol
LogP1.75
Rot. Bonds5

About N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide

N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118224421) has the molecular formula C21H24N6O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
PubChem CID118224421
Molecular FormulaC21H24N6O5
Molecular Weight440.46 g/mol
Exact Mass440.18
IUPAC NameN-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2nc1C1CC1)c1coc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C21H24N6O5/c28-13-3-4-27(10-13)20-23-15(11-31-20)19(29)22-14-9-16-18(24-17(14)12-1-2-12)25-21(32-16)26-5-7-30-8-6-26/h9,11-13,28H,1-8,10H2,(H,22,29)/t13-/m0/s1
InChIKeyZKOJOXJWXVSYTL-ZDUSSCGKSA-N
XLogP1.75
TPSA129.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide 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 N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide (CID 118224421) is N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide is O=C(Nc1cc2oc(N3CCOCC3)nc2nc1C1CC1)c1coc(N2CC[C@H](O)C2)n1.
What is the InChIKey of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZKOJOXJWXVSYTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24N6O5/c28-13-3-4-27(10-13)20-23-15(11-31-20)19(29)22-14-9-16-18(24-17(14)12-1-2-12)25-21(32-16)26-5-7-30-8-6-26/h9,11-13,28H,1-8,10H2,(H,22,29)/t13-/m0/s1.
What are the key properties of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118224421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).