N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H25FN4O3 — CID 55522795

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12)N(C)C
InChIInChI=1S/C25H25FN4O3/c1-15-23-19(13-20(28-25(23)33-29-15)16-9-11-17(26)12-10-16)24(31)27-14-21(30(2)3)18-7-5-6-8-22(18)32-4/h5-13,21H,14H2,1-4H3,(H,27,31)
InChIKeySHMJMIKEEILQGW-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.38
Rot. Bonds7

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55522795) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55522795
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12)N(C)C
InChIInChI=1S/C25H25FN4O3/c1-15-23-19(13-20(28-25(23)33-29-15)16-9-11-17(26)12-10-16)24(31)27-14-21(30(2)3)18-7-5-6-8-22(18)32-4/h5-13,21H,14H2,1-4H3,(H,27,31)
InChIKeySHMJMIKEEILQGW-UHFFFAOYSA-N
XLogP4.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[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

6-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930048
6-(4-fluorophenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25491415
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
N-[[4-(dimethylamino)phenyl]methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35830253
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485172
6-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42884611
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43051206
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821848
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55522795) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SHMJMIKEEILQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-15-23-19(13-20(28-25(23)33-29-15)16-9-11-17(26)12-10-16)24(31)27-14-21(30(2)3)18-7-5-6-8-22(18)32-4/h5-13,21H,14H2,1-4H3,(H,27,31).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55522795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).