4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C13H13N3O4 — CID 106389570

IUPAC4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C13H13N3O4/c1-7-6-15-12(20-7)8(2)16-11(17)9-3-4-14-10(5-9)13(18)19/h3-6,8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyZFHBCNMTFOBJGZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.57
Rot. Bonds4

About 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 106389570) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID106389570
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C13H13N3O4/c1-7-6-15-12(20-7)8(2)16-11(17)9-3-4-14-10(5-9)13(18)19/h3-6,8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyZFHBCNMTFOBJGZ-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

2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 106390062
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
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103948932

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 106389570) is 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is Cc1cnc(C(C)NC(=O)c2ccnc(C(=O)O)c2)o1.
What is the InChIKey of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZFHBCNMTFOBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-6-15-12(20-7)8(2)16-11(17)9-3-4-14-10(5-9)13(18)19/h3-6,8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
4-[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 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106389570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).