1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid

C12H18N2O3 — CID 110838475

IUPAC1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESCc1ncoc1C(C)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H18N2O3/c1-8-11(17-7-13-8)9(2)14-5-3-4-10(6-14)12(15)16/h7,9-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyKULNKMDXAPIPPO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.84
Rot. Bonds3

About 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid

1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 110838475) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID110838475
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESCc1ncoc1C(C)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H18N2O3/c1-8-11(17-7-13-8)9(2)14-5-3-4-10(6-14)12(15)16/h7,9-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyKULNKMDXAPIPPO-UHFFFAOYSA-N
XLogP1.84
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 110838474
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
CID 65054052
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904496
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 4011675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid (CID 110838475) is 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid is Cc1ncoc1C(C)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is KULNKMDXAPIPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-11(17-7-13-8)9(2)14-5-3-4-10(6-14)12(15)16/h7,9-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 110838475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).