1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid

C20H25N3O5 — CID 24980483

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(-c3cccnc3)no2)(C(=O)O)CC1
InChIInChI=1S/C20H25N3O5/c1-19(2,3)27-18(26)23-9-6-20(7-10-23,17(24)25)12-15-11-16(22-28-15)14-5-4-8-21-13-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,24,25)
InChIKeyXESRTJMINHVHBK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.38
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 24980483) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID24980483
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(-c3cccnc3)no2)(C(=O)O)CC1
InChIInChI=1S/C20H25N3O5/c1-19(2,3)27-18(26)23-9-6-20(7-10-23,17(24)25)12-15-11-16(22-28-15)14-5-4-8-21-13-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,24,25)
InChIKeyXESRTJMINHVHBK-UHFFFAOYSA-N
XLogP3.38
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-O-tert-butyl 4-O-methyl 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1,4-dicarboxylate
CID 24790417
1-O-tert-butyl 4-O-methyl 4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,4-dicarboxylate
CID 24856194
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 24790418
2-(5-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}isoxazol-3-yl)propan-2-ol
CID 121305872
Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate
CID 26959
2-[(5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 44571082
1-(2-methoxyethyl)-N-methyl-5-oxo-N-{[3-(3-pyridinyl)-5-isoxazolyl]methyl}-3-pyrrolidinecarboxamide
CID 70707211
(3S*,4S*)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70747430
Methyl 2-[(methyl{[3-(3-pyridinyl)-5-isoxazolyl]methyl}amino)carbonyl]-1-piperidinecarboxylate
CID 72845485
4-[3-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid
CID 110129067
3-[(3-Isopropyl-1,2-oxazol-5-YL)methyl]-N-methyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 118739897
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-1-[3-(pyridin-2-ylmethyl)piperidin-1-YL]ethanone
CID 118740020

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 24980483) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3cccnc3)no2)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XESRTJMINHVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-19(2,3)27-18(26)23-9-6-20(7-10-23,17(24)25)12-15-11-16(22-28-15)14-5-4-8-21-13-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,24,25).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 24980483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).