N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide

C24H29N5O2 — CID 57395712

IUPACN-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1
InChIInChI=1S/C24H29N5O2/c1-17(30)26-20-7-5-18(6-8-20)19-15-22-23(25-16-19)27-24(31-22)29-13-9-21(10-14-29)28-11-3-2-4-12-28/h5-8,15-16,21H,2-4,9-14H2,1H3,(H,26,30)
InChIKeyJLZWCVOAWTVCQB-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.30
Rot. Bonds4

About N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide

N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide (PubChem CID 57395712) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide
PubChem CID57395712
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1
InChIInChI=1S/C24H29N5O2/c1-17(30)26-20-7-5-18(6-8-20)19-15-22-23(25-16-19)27-24(31-22)29-13-9-21(10-14-29)28-11-3-2-4-12-28/h5-8,15-16,21H,2-4,9-14H2,1H3,(H,26,30)
InChIKeyJLZWCVOAWTVCQB-UHFFFAOYSA-N
XLogP4.30
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide with MolForge

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Related Compounds

CA-4948
CID 118224238
4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1385138
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
2-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1490582

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide (CID 57395712) is N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1.
What is the InChIKey of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide?
The InChIKey is JLZWCVOAWTVCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17(30)26-20-7-5-18(6-8-20)19-15-22-23(25-16-19)27-24(31-22)29-13-9-21(10-14-29)28-11-3-2-4-12-28/h5-8,15-16,21H,2-4,9-14H2,1H3,(H,26,30).
What are the key properties of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide?
N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 57395712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).