2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid

C24H26N4O6 — CID 4898736

IUPAC2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1(C(=O)Nc2ccccn2)CC(c2ccc(OCC(=O)N3CCCCC3)cc2)=NO1
InChIInChI=1S/C24H26N4O6/c29-21(28-12-4-1-5-13-28)16-33-18-9-7-17(8-10-18)19-14-24(34-27-19,15-22(30)31)23(32)26-20-6-2-3-11-25-20/h2-3,6-11H,1,4-5,12-16H2,(H,30,31)(H,25,26,32)
InChIKeyLFALXPJKBFVOMF-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.45
Rot. Bonds8

About 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid

2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid (PubChem CID 4898736) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
PubChem CID4898736
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1(C(=O)Nc2ccccn2)CC(c2ccc(OCC(=O)N3CCCCC3)cc2)=NO1
InChIInChI=1S/C24H26N4O6/c29-21(28-12-4-1-5-13-28)16-33-18-9-7-17(8-10-18)19-14-24(34-27-19,15-22(30)31)23(32)26-20-6-2-3-11-25-20/h2-3,6-11H,1,4-5,12-16H2,(H,30,31)(H,25,26,32)
InChIKeyLFALXPJKBFVOMF-UHFFFAOYSA-N
XLogP2.45
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4895396
1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808623
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015535
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 7945649
2-phenoxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 47072316
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid (CID 4898736) is 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid is O=C(O)CC1(C(=O)Nc2ccccn2)CC(c2ccc(OCC(=O)N3CCCCC3)cc2)=NO1.
What is the InChIKey of 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
The InChIKey is LFALXPJKBFVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c29-21(28-12-4-1-5-13-28)16-33-18-9-7-17(8-10-18)19-14-24(34-27-19,15-22(30)31)23(32)26-20-6-2-3-11-25-20/h2-3,6-11H,1,4-5,12-16H2,(H,30,31)(H,25,26,32).
What are the key properties of 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid has a molecular weight of 466.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 4898736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).