propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate

C20H20N2O4 — CID 154266442

IUPACpropan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
SMILESCc1onc(-c2ccccc2)c1COc1ncccc1C(=O)OC(C)C
InChIInChI=1S/C20H20N2O4/c1-13(2)25-20(23)16-10-7-11-21-19(16)24-12-17-14(3)26-22-18(17)15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3
InChIKeyNZFVQQDUVHZOHM-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.19
Rot. Bonds6

About propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate

propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate (PubChem CID 154266442) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
PubChem CID154266442
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namepropan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
SMILESCc1onc(-c2ccccc2)c1COc1ncccc1C(=O)OC(C)C
InChIInChI=1S/C20H20N2O4/c1-13(2)25-20(23)16-10-7-11-21-19(16)24-12-17-14(3)26-22-18(17)15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3
InChIKeyNZFVQQDUVHZOHM-UHFFFAOYSA-N
XLogP4.19
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 133470631
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
CID 42630377
3-cyanopropyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 155552111
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate (CID 154266442) is propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate is Cc1onc(-c2ccccc2)c1COc1ncccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
The InChIKey is NZFVQQDUVHZOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(2)25-20(23)16-10-7-11-21-19(16)24-12-17-14(3)26-22-18(17)15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate?
propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 154266442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).