2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C32H32N2O4 — CID 18367393

IUPAC2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2N1CCCCC1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C32H32N2O4/c35-29(36)21-37-28-19-10-15-24-25(28)16-9-18-26(24)34-20-8-7-17-27(34)32-33-30(22-11-3-1-4-12-22)31(38-32)23-13-5-2-6-14-23/h1-6,10-15,19,26-27H,7-9,16-18,20-21H2,(H,35,36)
InChIKeyROUKFCTUKSQTIM-UHFFFAOYSA-N
MW508.62 g/mol
LogP7.08
Rot. Bonds7

About 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 18367393) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID18367393
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2N1CCCCC1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C32H32N2O4/c35-29(36)21-37-28-19-10-15-24-25(28)16-9-18-26(24)34-20-8-7-17-27(34)32-33-30(22-11-3-1-4-12-22)31(38-32)23-13-5-2-6-14-23/h1-6,10-15,19,26-27H,7-9,16-18,20-21H2,(H,35,36)
InChIKeyROUKFCTUKSQTIM-UHFFFAOYSA-N
XLogP7.08
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5S)-5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 57145112
2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 18367236
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 10139047
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936166
2-[3-[[(2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936165
2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid
CID 19358510
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 18367394
2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 15236832
5-(carboxymethoxy)-1-(4-phenyl-N-sulfinatoanilino)-1,2,3,4-tetrahydronaphthalene
CID 67182587
2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
CID 10069380
2-[[5-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855469

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 18367393) is 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCCC2N1CCCCC1c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is ROUKFCTUKSQTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c35-29(36)21-37-28-19-10-15-24-25(28)16-9-18-26(24)34-20-8-7-17-27(34)32-33-30(22-11-3-1-4-12-22)31(38-32)23-13-5-2-6-14-23/h1-6,10-15,19,26-27H,7-9,16-18,20-21H2,(H,35,36).
What are the key properties of 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 508.62 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 18367393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).