(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid

C17H18N2O4 — CID 120537508

IUPAC(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C17H18N2O4/c1-11-14(23-15(18-11)12-7-3-2-4-8-12)16(20)19-10-6-5-9-13(19)17(21)22/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyAJTONHXVSUATKH-CYBMUJFWSA-N
MW314.34 g/mol
LogP2.73
Rot. Bonds3

About (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120537508) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID120537508
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C17H18N2O4/c1-11-14(23-15(18-11)12-7-3-2-4-8-12)16(20)19-10-6-5-9-13(19)17(21)22/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyAJTONHXVSUATKH-CYBMUJFWSA-N
XLogP2.73
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365014
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
(3S,3aS,6aR)-2-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469420
5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118114
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514826
(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 129414997
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607744
(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 170715996
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid (CID 120537508) is (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid is Cc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is AJTONHXVSUATKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-14(23-15(18-11)12-7-3-2-4-8-12)16(20)19-10-6-5-9-13(19)17(21)22/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120537508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).