(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid

C23H24N2O4 — CID 69201573

IUPAC(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2nc(COc3ccc(CN4CCC[C@@H]4C(=O)O)cc3)co2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-4-8-18(9-5-16)22-24-19(15-29-22)14-28-20-10-6-17(7-11-20)13-25-12-2-3-21(25)23(26)27/h4-11,15,21H,2-3,12-14H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyDGKVSOHSYSJHOU-OAQYLSRUSA-N
MW392.46 g/mol
LogP4.28
Rot. Bonds7

About (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 69201573) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID69201573
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2nc(COc3ccc(CN4CCC[C@@H]4C(=O)O)cc3)co2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-4-8-18(9-5-16)22-24-19(15-29-22)14-28-20-10-6-17(7-11-20)13-25-12-2-3-21(25)23(26)27/h4-11,15,21H,2-3,12-14H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyDGKVSOHSYSJHOU-OAQYLSRUSA-N
XLogP4.28
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69171870
(2R)-1-[[3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 145482293
(2R)-1-[[4-[2-(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171238
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium
CID 145482250
1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908608
(2R)-1-[[4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69172088
1-[[4-(3-methylbutoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036587
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
2-(4-methylphenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 47023809
2-[4-(3-chloropropoxy)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 59457498
2-[4-[4-(2-methylpiperidin-1-yl)butoxy]phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 11857748

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 69201573) is (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid is Cc1ccc(-c2nc(COc3ccc(CN4CCC[C@@H]4C(=O)O)cc3)co2)cc1.
What is the InChIKey of (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DGKVSOHSYSJHOU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-4-8-18(9-5-16)22-24-19(15-29-22)14-28-20-10-6-17(7-11-20)13-25-12-2-3-21(25)23(26)27/h4-11,15,21H,2-3,12-14H2,1H3,(H,26,27)/t21-/m1/s1.
What are the key properties of (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).