2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

C13H15N3O3 — CID 134701429

IUPAC2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCc1cccnc1CN(C)Cc1nc(C(=O)O)co1
InChIInChI=1S/C13H15N3O3/c1-9-4-3-5-14-10(9)6-16(2)7-12-15-11(8-19-12)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyWMPCYRNNSOHOFH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.71
Rot. Bonds5

About 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 134701429) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID134701429
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCc1cccnc1CN(C)Cc1nc(C(=O)O)co1
InChIInChI=1S/C13H15N3O3/c1-9-4-3-5-14-10(9)6-16(2)7-12-15-11(8-19-12)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyWMPCYRNNSOHOFH-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid (CID 134701429) is 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid is Cc1cccnc1CN(C)Cc1nc(C(=O)O)co1.
What is the InChIKey of 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is WMPCYRNNSOHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-4-3-5-14-10(9)6-16(2)7-12-15-11(8-19-12)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134701429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).