2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid

C23H32N2O6 — CID 67644896

IUPAC2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(C(C(=O)O)[C@H]3CC=NO3)cc2)CC1
InChIInChI=1S/C23H32N2O6/c1-23(2,3)30-22(28)25-13-9-16(10-14-25)11-15-29-18-6-4-17(5-7-18)20(21(26)27)19-8-12-24-31-19/h4-7,12,16,19-20H,8-11,13-15H2,1-3H3,(H,26,27)/t19-,20?/m1/s1
InChIKeyZVDHCEGRFSFYTF-FIWHBWSRSA-N
MW432.52 g/mol
LogP4.05
Rot. Bonds7

About 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid

2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid (PubChem CID 67644896) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid
PubChem CID67644896
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(C(C(=O)O)[C@H]3CC=NO3)cc2)CC1
InChIInChI=1S/C23H32N2O6/c1-23(2,3)30-22(28)25-13-9-16(10-14-25)11-15-29-18-6-4-17(5-7-18)20(21(26)27)19-8-12-24-31-19/h4-7,12,16,19-20H,8-11,13-15H2,1-3H3,(H,26,27)/t19-,20?/m1/s1
InChIKeyZVDHCEGRFSFYTF-FIWHBWSRSA-N
XLogP4.05
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid 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

(2S)-2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phenyl]acetic acid
CID 67644920
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
2-[3-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 10526731
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
tert-butyl 4-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630068
tert-butyl 4-[2-(3,4-dinitrophenoxy)ethyl]piperidine-1-carboxylate
CID 86612986
tert-butyl 4-[3-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenoxy]propyl]piperidine-1-carboxylate
CID 159636919
tert-butyl 3-[[4-(2-fluoroethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 155373878

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid (CID 67644896) is 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid is CC(C)(C)OC(=O)N1CCC(CCOc2ccc(C(C(=O)O)[C@H]3CC=NO3)cc2)CC1.
What is the InChIKey of 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid?
The InChIKey is ZVDHCEGRFSFYTF-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-23(2,3)30-22(28)25-13-9-16(10-14-25)11-15-29-18-6-4-17(5-7-18)20(21(26)27)19-8-12-24-31-19/h4-7,12,16,19-20H,8-11,13-15H2,1-3H3,(H,26,27)/t19-,20?/m1/s1.
What are the key properties of 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid?
2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid has a molecular weight of 432.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 67644896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).