1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid

C15H14N4O4 — CID 66643856

IUPAC1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
SMILESCc1onc(-c2ccccn2)c1COc1cc(C(=O)O)n(C)n1
InChIInChI=1S/C15H14N4O4/c1-9-10(14(18-23-9)11-5-3-4-6-16-11)8-22-13-7-12(15(20)21)19(2)17-13/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyRZZMABNMGNPXBO-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.06
Rot. Bonds5

About 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid

1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid (PubChem CID 66643856) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
PubChem CID66643856
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
SMILESCc1onc(-c2ccccn2)c1COc1cc(C(=O)O)n(C)n1
InChIInChI=1S/C15H14N4O4/c1-9-10(14(18-23-9)11-5-3-4-6-16-11)8-22-13-7-12(15(20)21)19(2)17-13/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyRZZMABNMGNPXBO-UHFFFAOYSA-N
XLogP2.06
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(3-hydroxy-2-methylpropyl)-1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxamide
CID 163476575
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 42630130
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide
CID 67276266
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
CID 66643741
(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
CID 66644602
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
CID 59568484
4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 66643567
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
CID 66646232
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
methyl 3-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
CID 86761556

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid (CID 66643856) is 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid is Cc1onc(-c2ccccn2)c1COc1cc(C(=O)O)n(C)n1.
What is the InChIKey of 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid?
The InChIKey is RZZMABNMGNPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-9-10(14(18-23-9)11-5-3-4-6-16-11)8-22-13-7-12(15(20)21)19(2)17-13/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid?
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid is sourced from PubChem (CID 66643856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).