2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid

C22H25N5O4 — CID 170789736

IUPAC2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
SMILESC[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C22H25N5O4/c1-15(18-13-23-20(31-18)16-8-4-2-5-9-16)25-17-12-24-22(26-10-6-3-7-11-26)27(21(17)30)14-19(28)29/h2,4-5,8-9,12-13,15,25H,3,6-7,10-11,14H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyFMTAHLOSQPJEQG-OAHLLOKOSA-N
MW423.47 g/mol
LogP3.15
Rot. Bonds7

About 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid

2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid (PubChem CID 170789736) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
PubChem CID170789736
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
SMILESC[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C22H25N5O4/c1-15(18-13-23-20(31-18)16-8-4-2-5-9-16)25-17-12-24-22(26-10-6-3-7-11-26)27(21(17)30)14-19(28)29/h2,4-5,8-9,12-13,15,25H,3,6-7,10-11,14H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyFMTAHLOSQPJEQG-OAHLLOKOSA-N
XLogP3.15
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
CID 170789204
2-[5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 91284759
1-(2-phenyl-1,3-oxazol-5-yl)ethanol
CID 115087081
butyl 4-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxopyrimidin-2-yl]piperazine-1-carboxylate
CID 175993501
(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110681388
2-[1-(3-methyl-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl)ethylamino]benzoic acid
CID 169154724
tert-butyl 2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetate;2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetic acid
CID 175993589
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
5-(dimethoxymethyl)-2-phenyl-1,3-oxazole
CID 177437797
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid (CID 170789736) is 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid is C[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1cnc(-c2ccccc2)o1.
What is the InChIKey of 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
The InChIKey is FMTAHLOSQPJEQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15(18-13-23-20(31-18)16-8-4-2-5-9-16)25-17-12-24-22(26-10-6-3-7-11-26)27(21(17)30)14-19(28)29/h2,4-5,8-9,12-13,15,25H,3,6-7,10-11,14H2,1H3,(H,28,29)/t15-/m1/s1.
What are the key properties of 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid has a molecular weight of 423.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid is sourced from PubChem (CID 170789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).