N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H19N3O3 — CID 32605719

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C18H19N3O3/c1-11-8-15(16-12(2)21-24-18(16)20-11)17(22)19-9-13-6-4-5-7-14(13)10-23-3/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyHZGJVFCBDWRWBM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.92
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32605719) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32605719
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C18H19N3O3/c1-11-8-15(16-12(2)21-24-18(16)20-11)17(22)19-9-13-6-4-5-7-14(13)10-23-3/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyHZGJVFCBDWRWBM-UHFFFAOYSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78852990
N-(1,3-benzothiazol-7-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 163310533
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119439823
3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 60735807
N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 167941876
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71895516
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
4-[4-[[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247236
3-methyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612649
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30765096

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 32605719) is N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCc1ccccc1CNC(=O)c1cc(C)nc2onc(C)c12.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HZGJVFCBDWRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-8-15(16-12(2)21-24-18(16)20-11)17(22)19-9-13-6-4-5-7-14(13)10-23-3/h4-8H,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32605719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).