2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid

C14H16N4O4 — CID 143797134

IUPAC2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1ccnc(OC2CCN(c3nc(C(=O)O)co3)CC2)n1
InChIInChI=1S/C14H16N4O4/c1-9-2-5-15-13(16-9)22-10-3-6-18(7-4-10)14-17-11(8-21-14)12(19)20/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,20)
InChIKeyXPBGBHRBZAQHIL-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 143797134) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID143797134
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1ccnc(OC2CCN(c3nc(C(=O)O)co3)CC2)n1
InChIInChI=1S/C14H16N4O4/c1-9-2-5-15-13(16-9)22-10-3-6-18(7-4-10)14-17-11(8-21-14)12(19)20/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,20)
InChIKeyXPBGBHRBZAQHIL-UHFFFAOYSA-N
XLogP1.52
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70846090
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901
2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377249
N-[3-(cyclopentylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide
CID 70955395
N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide
CID 70955181
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
2-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166258912
8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 126954192
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70704972
2-[3-(3-methylphenyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166240100
(5-methyl-1,2-oxazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 143797134) is 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid is Cc1ccnc(OC2CCN(c3nc(C(=O)O)co3)CC2)n1.
What is the InChIKey of 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is XPBGBHRBZAQHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9-2-5-15-13(16-9)22-10-3-6-18(7-4-10)14-17-11(8-21-14)12(19)20/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 143797134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).