N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C21H23F3N8O3 — CID 118061043

IUPACN-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)[C@H]1CC(=O)N(c2nn(C)cc2NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H23F3N8O3/c1-30(2)13-7-17(33)32(8-13)18-14(9-31(3)29-18)27-19(34)15-10-35-20(28-15)12-4-5-25-16(6-12)26-11-21(22,23)24/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,25,26)(H,27,34)/t13-/m0/s1
InChIKeyJHBTXXFTJIXYSV-ZDUSSCGKSA-N
MW492.46 g/mol
LogP2.36
Rot. Bonds7

About N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 118061043) has the molecular formula C21H23F3N8O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID118061043
Molecular FormulaC21H23F3N8O3
Molecular Weight492.46 g/mol
Exact Mass492.18
IUPAC NameN-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)[C@H]1CC(=O)N(c2nn(C)cc2NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H23F3N8O3/c1-30(2)13-7-17(33)32(8-13)18-14(9-31(3)29-18)27-19(34)15-10-35-20(28-15)12-4-5-25-16(6-12)26-11-21(22,23)24/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,25,26)(H,27,34)/t13-/m0/s1
InChIKeyJHBTXXFTJIXYSV-ZDUSSCGKSA-N
XLogP2.36
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-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

N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118060838
4,4-dimethyl-1-[1-methyl-4-[[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 118061330
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118061048
N-[1-methyl-3-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118061063
N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118070537
N-[1-(4-tert-butylphenyl)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138726912
tert-butyl N-[4-[4-[[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 131735464
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 52913876
[4-[4-[[1-methyl-3-[2-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl] N-(2,2,2-trifluoroethyl)carbamate
CID 146290495
N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 171370329
N-[1-(4-tert-butylphenyl)-3-(3-hydroxypropyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138727221
N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138727238

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 118061043) is N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CN(C)[C@H]1CC(=O)N(c2nn(C)cc2NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)C1.
What is the InChIKey of N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JHBTXXFTJIXYSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23F3N8O3/c1-30(2)13-7-17(33)32(8-13)18-14(9-31(3)29-18)27-19(34)15-10-35-20(28-15)12-4-5-25-16(6-12)26-11-21(22,23)24/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,25,26)(H,27,34)/t13-/m0/s1.
What are the key properties of N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118061043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).