N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H21N3O4 — CID 166284388

IUPACN-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)NC34CC(CO)(C3)OC4C)c12
InChIInChI=1S/C21H21N3O4/c1-12-17-15(18(26)23-21-9-20(10-21,11-25)27-13(21)2)8-16(22-19(17)28-24-12)14-6-4-3-5-7-14/h3-8,13,25H,9-11H2,1-2H3,(H,23,26)
InChIKeyDVRDGORASHRVDL-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166284388) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166284388
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)NC34CC(CO)(C3)OC4C)c12
InChIInChI=1S/C21H21N3O4/c1-12-17-15(18(26)23-21-9-20(10-21,11-25)27-13(21)2)8-16(22-19(17)28-24-12)14-6-4-3-5-7-14/h3-8,13,25H,9-11H2,1-2H3,(H,23,26)
InChIKeyDVRDGORASHRVDL-UHFFFAOYSA-N
XLogP2.61
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95339422
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47064573
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39985346
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36814386
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110883739
[2-(azepan-1-yl)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46685674
(2,2-dichlorocyclopropyl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158224
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42475011

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166284388) is N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)NC34CC(CO)(C3)OC4C)c12.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DVRDGORASHRVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12-17-15(18(26)23-21-9-20(10-21,11-25)27-13(21)2)8-16(22-19(17)28-24-12)14-6-4-3-5-7-14/h3-8,13,25H,9-11H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166284388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).