(2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide

C25H23ClF3N3O3 — CID 25252813

IUPAC(2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOc2cc(C(F)(F)F)ccc21)N1CCC[C@@H]1c1oncc1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClF3N3O3/c26-18-6-3-15(4-7-18)12-16-14-30-35-23(16)21-2-1-10-32(21)24(33)31-20-9-11-34-22-13-17(25(27,28)29)5-8-19(20)22/h3-8,13-14,20-21H,1-2,9-12H2,(H,31,33)/t20?,21-/m1/s1
InChIKeyPYARAZBIDAXPBQ-BPGUCPLFSA-N
MW505.92 g/mol
LogP6.31
Rot. Bonds4

About (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide

(2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide (PubChem CID 25252813) has the molecular formula C25H23ClF3N3O3 and a molecular weight of 505.92 g/mol. Its IUPAC name is (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
PubChem CID25252813
Molecular FormulaC25H23ClF3N3O3
Molecular Weight505.92 g/mol
Exact Mass505.14
IUPAC Name(2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOc2cc(C(F)(F)F)ccc21)N1CCC[C@@H]1c1oncc1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClF3N3O3/c26-18-6-3-15(4-7-18)12-16-14-30-35-23(16)21-2-1-10-32(21)24(33)31-20-9-11-34-22-13-17(25(27,28)29)5-8-19(20)22/h3-8,13-14,20-21H,1-2,9-12H2,(H,31,33)/t20?,21-/m1/s1
InChIKeyPYARAZBIDAXPBQ-BPGUCPLFSA-N
XLogP6.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]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-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide;2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
CID 143826208
(2R)-2-[4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1,2,4-triazol-3-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
CID 162542965
2-[5-chloro-4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
CID 68811129
2-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide
CID 76583029
(2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
CID 25254680
(2R)-2-[5-[(4-chlorophenyl)methyl]pyrimidin-4-yl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 25253281
2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[(5S)-7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-1-carboxamide
CID 70894409
[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573
2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-(6-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidine-1-carboxamide
CID 70894345
(2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-(6-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidine-1-carboxamide
CID 25254838
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99777080
4-[[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylic acid
CID 151849875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide (CID 25252813) is (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide is O=C(NC1CCOc2cc(C(F)(F)F)ccc21)N1CCC[C@@H]1c1oncc1Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is PYARAZBIDAXPBQ-BPGUCPLFSA-N. The full InChI is InChI=1S/C25H23ClF3N3O3/c26-18-6-3-15(4-7-18)12-16-14-30-35-23(16)21-2-1-10-32(21)24(33)31-20-9-11-34-22-13-17(25(27,28)29)5-8-19(20)22/h3-8,13-14,20-21H,1-2,9-12H2,(H,31,33)/t20?,21-/m1/s1.
What are the key properties of (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide?
(2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 505.92 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(4-chlorophenyl)methyl]-1,2-oxazol-5-yl]-N-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 25252813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).