5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C12H18N2O3 — CID 61397898

IUPAC5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC1CCCCN1Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H18N2O3/c1-2-9-5-3-4-6-14(9)8-10-7-11(12(15)16)13-17-10/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyLDKZYRMWAYXRDP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.14
Rot. Bonds4

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

5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397898) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397898
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC1CCCCN1Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H18N2O3/c1-2-9-5-3-4-6-14(9)8-10-7-11(12(15)16)13-17-10/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyLDKZYRMWAYXRDP-UHFFFAOYSA-N
XLogP2.14
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397898) is 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is CCC1CCCCN1Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is LDKZYRMWAYXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-9-5-3-4-6-14(9)8-10-7-11(12(15)16)13-17-10/h7,9H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).