6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid

C15H18N2O4 — CID 66598335

IUPAC6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESCCCCc1noc(C)c1COc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H18N2O4/c1-3-4-5-13-12(10(2)21-17-13)9-20-14-7-6-11(8-16-14)15(18)19/h6-8H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyPHVFJPGRHJUHCY-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.00
Rot. Bonds7

About 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid

6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 66598335) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID66598335
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESCCCCc1noc(C)c1COc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H18N2O4/c1-3-4-5-13-12(10(2)21-17-13)9-20-14-7-6-11(8-16-14)15(18)19/h6-8H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyPHVFJPGRHJUHCY-UHFFFAOYSA-N
XLogP3.00
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
CID 158136847
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 66643927
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate
CID 66643787
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
CID 66643741
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513

Frequently Asked Questions

What is the IUPAC name of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid (CID 66598335) is 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid is CCCCc1noc(C)c1COc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is PHVFJPGRHJUHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-4-5-13-12(10(2)21-17-13)9-20-14-7-6-11(8-16-14)15(18)19/h6-8H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid?
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 66598335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).