3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C12H11N3O4 — CID 107370049

IUPAC3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cnccc1CNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H11N3O4/c1-7-5-13-3-2-8(7)6-14-11(16)9-4-10(12(17)18)19-15-9/h2-5H,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyBSGQHAYRTWFDGB-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.01
Rot. Bonds4

About 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107370049) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107370049
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cnccc1CNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H11N3O4/c1-7-5-13-3-2-8(7)6-14-11(16)9-4-10(12(17)18)19-15-9/h2-5H,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyBSGQHAYRTWFDGB-UHFFFAOYSA-N
XLogP1.01
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610
2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114263545
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 114699456
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369810
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107370049) is 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid is Cc1cnccc1CNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is BSGQHAYRTWFDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-5-13-3-2-8(7)6-14-11(16)9-4-10(12(17)18)19-15-9/h2-5H,6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107370049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).