(3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

C28H29F4N5O4 — CID 58428742

IUPAC(3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(O[C@@H]4CCN(C(=O)Nc5ccccc5F)C4)nc3)o2)C1
InChIInChI=1S/C28H29F4N5O4/c1-17-5-4-11-37(15-17)27-35-25(28(30,31)32)24(41-27)22(38)13-18-8-9-23(33-14-18)40-19-10-12-36(16-19)26(39)34-21-7-3-2-6-20(21)29/h2-3,6-9,14,17,19H,4-5,10-13,15-16H2,1H3,(H,34,39)/t17?,19-/m1/s1
InChIKeySMDWDYUZDXEVIT-WHCXFUJUSA-N
MW575.56 g/mol
LogP5.57
Rot. Bonds7

About (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

(3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (PubChem CID 58428742) has the molecular formula C28H29F4N5O4 and a molecular weight of 575.56 g/mol. Its IUPAC name is (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
PubChem CID58428742
Molecular FormulaC28H29F4N5O4
Molecular Weight575.56 g/mol
Exact Mass575.22
IUPAC Name(3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(O[C@@H]4CCN(C(=O)Nc5ccccc5F)C4)nc3)o2)C1
InChIInChI=1S/C28H29F4N5O4/c1-17-5-4-11-37(15-17)27-35-25(28(30,31)32)24(41-27)22(38)13-18-8-9-23(33-14-18)40-19-10-12-36(16-19)26(39)34-21-7-3-2-6-20(21)29/h2-3,6-9,14,17,19H,4-5,10-13,15-16H2,1H3,(H,34,39)/t17?,19-/m1/s1
InChIKeySMDWDYUZDXEVIT-WHCXFUJUSA-N
XLogP5.57
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-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

2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carboxylic Acid Methyl Ester
CID 52936838
4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carboxylic Acid Ethyl Ester
CID 52936839
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-acetyl)-methyl-amino]-pyridin-3-yl}-amide
CID 57398505
4-Methyl-2-phenyl-oxazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 57401962
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 46231553
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (CID 58428742) is (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(O[C@@H]4CCN(C(=O)Nc5ccccc5F)C4)nc3)o2)C1.
What is the InChIKey of (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The InChIKey is SMDWDYUZDXEVIT-WHCXFUJUSA-N. The full InChI is InChI=1S/C28H29F4N5O4/c1-17-5-4-11-37(15-17)27-35-25(28(30,31)32)24(41-27)22(38)13-18-8-9-23(33-14-18)40-19-10-12-36(16-19)26(39)34-21-7-3-2-6-20(21)29/h2-3,6-9,14,17,19H,4-5,10-13,15-16H2,1H3,(H,34,39)/t17?,19-/m1/s1.
What are the key properties of (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
(3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide has a molecular weight of 575.56 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-fluorophenyl)-3-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58428742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).