N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C24H29N5O4 — CID 25333039

IUPACN-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)cc12
InChIInChI=1S/C24H29N5O4/c1-16(2)22-19-13-17(15-25-24(19)33-27-22)23(30)26-20-4-3-18(28-5-9-31-10-6-28)14-21(20)29-7-11-32-12-8-29/h3-4,13-16H,5-12H2,1-2H3,(H,26,30)
InChIKeyYFPFFQHPWLASOM-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.27
Rot. Bonds5

About N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 25333039) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID25333039
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)cc12
InChIInChI=1S/C24H29N5O4/c1-16(2)22-19-13-17(15-25-24(19)33-27-22)23(30)26-20-4-3-18(28-5-9-31-10-6-28)14-21(20)29-7-11-32-12-8-29/h3-4,13-16H,5-12H2,1-2H3,(H,26,30)
InChIKeyYFPFFQHPWLASOM-UHFFFAOYSA-N
XLogP3.27
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 112839574
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166210280
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71883592
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 24653710
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 25333039) is N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)cc12.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is YFPFFQHPWLASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16(2)22-19-13-17(15-25-24(19)33-27-22)23(30)26-20-4-3-18(28-5-9-31-10-6-28)14-21(20)29-7-11-32-12-8-29/h3-4,13-16H,5-12H2,1-2H3,(H,26,30).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 25333039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).