N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H17N3O3 — CID 110883739

IUPACN-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCO)c3c(C)noc3n2)cc1
InChIInChI=1S/C17H17N3O3/c1-10-3-5-12(6-4-10)14-9-13(16(22)18-7-8-21)15-11(2)20-23-17(15)19-14/h3-6,9,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyDCZRSCSUZARIBJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.23
Rot. Bonds4

About N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 110883739) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID110883739
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCO)c3c(C)noc3n2)cc1
InChIInChI=1S/C17H17N3O3/c1-10-3-5-12(6-4-10)14-9-13(16(22)18-7-8-21)15-11(2)20-23-17(15)19-14/h3-6,9,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyDCZRSCSUZARIBJ-UHFFFAOYSA-N
XLogP2.23
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-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

Related Compounds

methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119555650
N-(1,2-benzoxazol-3-ylmethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 139011927
6-(4-fluorophenyl)-3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55769864
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95584725
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629
N'-(2,5-dimethylfuran-3-carbonyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 43038235
3-methyl-6-(4-methylphenyl)-N-[(2-nitrophenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55798563
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
3-methyl-6-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119460537
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607315
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821715

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 110883739) is N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCO)c3c(C)noc3n2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DCZRSCSUZARIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-3-5-12(6-4-10)14-9-13(16(22)18-7-8-21)15-11(2)20-23-17(15)19-14/h3-6,9,21H,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 110883739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).