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

C17H13ClFN3O3 — CID 46255911

IUPACN-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cccnc1Cl
InChIInChI=1S/C17H13ClFN3O3/c18-17-14(2-1-7-20-17)21-16(23)10-24-9-13-8-15(25-22-13)11-3-5-12(19)6-4-11/h1-8H,9-10H2,(H,21,23)
InChIKeyPHEUBTRHKAAEJQ-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.68
Rot. Bonds6

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

N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (PubChem CID 46255911) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
PubChem CID46255911
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cccnc1Cl
InChIInChI=1S/C17H13ClFN3O3/c18-17-14(2-1-7-20-17)21-16(23)10-24-9-13-8-15(25-22-13)11-3-5-12(19)6-4-11/h1-8H,9-10H2,(H,21,23)
InChIKeyPHEUBTRHKAAEJQ-UHFFFAOYSA-N
XLogP3.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (CID 46255911) is N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The InChIKey is PHEUBTRHKAAEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c18-17-14(2-1-7-20-17)21-16(23)10-24-9-13-8-15(25-22-13)11-3-5-12(19)6-4-11/h1-8H,9-10H2,(H,21,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide has a molecular weight of 361.76 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is sourced from PubChem (CID 46255911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).