5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C13H15N3O4 — CID 107426726

IUPAC5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(CCc1ccccn1)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C13H15N3O4/c1-16(7-5-9-4-2-3-6-14-9)12(17)11-8-10(13(18)19)15-20-11/h2-4,6,11H,5,7-8H2,1H3,(H,18,19)
InChIKeyMNGABQVXWYOVMI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.31
Rot. Bonds5

About 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426726) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426726
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(CCc1ccccn1)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C13H15N3O4/c1-16(7-5-9-4-2-3-6-14-9)12(17)11-8-10(13(18)19)15-20-11/h2-4,6,11H,5,7-8H2,1H3,(H,18,19)
InChIKeyMNGABQVXWYOVMI-UHFFFAOYSA-N
XLogP0.31
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(thiophen-2-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426756
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427235
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426726) is 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CN(CCc1ccccn1)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is MNGABQVXWYOVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16(7-5-9-4-2-3-6-14-9)12(17)11-8-10(13(18)19)15-20-11/h2-4,6,11H,5,7-8H2,1H3,(H,18,19).
What are the key properties of 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).