5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C13H13N3O4 — CID 106389573

IUPAC5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2ccc(C(=O)O)nc2)o1
InChIInChI=1S/C13H13N3O4/c1-7-5-15-12(20-7)8(2)16-11(17)9-3-4-10(13(18)19)14-6-9/h3-6,8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyHQDCOKQROXDOPS-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.57
Rot. Bonds4

About 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 106389573) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID106389573
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2ccc(C(=O)O)nc2)o1
InChIInChI=1S/C13H13N3O4/c1-7-5-15-12(20-7)8(2)16-11(17)9-3-4-10(13(18)19)14-6-9/h3-6,8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyHQDCOKQROXDOPS-UHFFFAOYSA-N
XLogP1.57
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 104630729
3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103950224
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 106390062
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 61030950

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 106389573) is 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is Cc1cnc(C(C)NC(=O)c2ccc(C(=O)O)nc2)o1.
What is the InChIKey of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HQDCOKQROXDOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-5-15-12(20-7)8(2)16-11(17)9-3-4-10(13(18)19)14-6-9/h3-6,8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106389573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).