5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid

C12H18N2O3 — CID 51673725

IUPAC5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1CN1CCC[C@H](C)C1
InChIInChI=1S/C12H18N2O3/c1-8-4-3-5-14(6-8)7-10-9(2)17-13-11(10)12(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyOSKQYLXOUWEPMJ-QMMMGPOBSA-N
MW238.29 g/mol
LogP1.91
Rot. Bonds3

About 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid

5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 51673725) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID51673725
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1CN1CCC[C@H](C)C1
InChIInChI=1S/C12H18N2O3/c1-8-4-3-5-14(6-8)7-10-9(2)17-13-11(10)12(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyOSKQYLXOUWEPMJ-QMMMGPOBSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 42960083
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 9120728
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
4-(bromomethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 166604179
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477695
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid (CID 51673725) is 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid is Cc1onc(C(=O)O)c1CN1CCC[C@H](C)C1.
What is the InChIKey of 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is OSKQYLXOUWEPMJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-4-3-5-14(6-8)7-10-9(2)17-13-11(10)12(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 51673725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).