2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide

C18H16FN3O3 — CID 20906258

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H16FN3O3/c1-12-6-7-20-17(8-12)21-18(23)11-24-10-15-9-16(25-22-15)13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,20,21,23)
InChIKeyILCQRULPWHLKAV-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.34
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 20906258) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID20906258
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H16FN3O3/c1-12-6-7-20-17(8-12)21-18(23)11-24-10-15-9-16(25-22-15)13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,20,21,23)
InChIKeyILCQRULPWHLKAV-UHFFFAOYSA-N
XLogP3.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide (CID 20906258) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is ILCQRULPWHLKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-12-6-7-20-17(8-12)21-18(23)11-24-10-15-9-16(25-22-15)13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,20,21,23).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 341.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 20906258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).