1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid

C19H20N2O5 — CID 56885721

IUPAC1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
SMILESO=C(c1ncoc1C1CC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H20N2O5/c22-17(15-16(13-6-7-13)25-12-20-15)21-10-8-19(9-11-21,18(23)24)26-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,24)
InChIKeyVKTOVSCAWICUFB-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.69
Rot. Bonds5

About 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid

1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid (PubChem CID 56885721) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
PubChem CID56885721
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
SMILESO=C(c1ncoc1C1CC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H20N2O5/c22-17(15-16(13-6-7-13)25-12-20-15)21-10-8-19(9-11-21,18(23)24)26-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,24)
InChIKeyVKTOVSCAWICUFB-UHFFFAOYSA-N
XLogP2.69
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72886665
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56901662
1-[2-(methylamino)pyrimidine-5-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 70773035
[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 56908974
1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56887966
(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 72859720
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015112
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 97015113
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid (CID 56885721) is 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid is O=C(c1ncoc1C1CC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
The InChIKey is VKTOVSCAWICUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17(15-16(13-6-7-13)25-12-20-15)21-10-8-19(9-11-21,18(23)24)26-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,24).
What are the key properties of 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56885721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).