3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole

C19H13ClFN3O3 — CID 138455362

IUPAC3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
SMILESFc1cccc(-c2cc(COCc3cc(-c4cccnc4Cl)no3)on2)c1
InChIInChI=1S/C19H13ClFN3O3/c20-19-16(5-2-6-22-19)18-9-15(27-24-18)11-25-10-14-8-17(23-26-14)12-3-1-4-13(21)7-12/h1-9H,10-11H2
InChIKeyLAASDNDGSWZNBX-UHFFFAOYSA-N
MW385.78 g/mol
LogP4.90
Rot. Bonds6

About 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole

3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole (PubChem CID 138455362) has the molecular formula C19H13ClFN3O3 and a molecular weight of 385.78 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
PubChem CID138455362
Molecular FormulaC19H13ClFN3O3
Molecular Weight385.78 g/mol
Exact Mass385.06
IUPAC Name3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
SMILESFc1cccc(-c2cc(COCc3cc(-c4cccnc4Cl)no3)on2)c1
InChIInChI=1S/C19H13ClFN3O3/c20-19-16(5-2-6-22-19)18-9-15(27-24-18)11-25-10-14-8-17(23-26-14)12-3-1-4-13(21)7-12/h1-9H,10-11H2
InChIKeyLAASDNDGSWZNBX-UHFFFAOYSA-N
XLogP4.90
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-(pyridin-3-yl)-1,2-oxazole-5-carboxylate
CID 776550
Ethyl 3-(pyridin-3-yl)-1,2-oxazole-5-carboxylate
CID 776521
3-(6-Chloropyridin-3-yl)-5-(((3-fluoroisoxazol-5-yl)methoxy)methyl)isoxazole
CID 138455283
3-(2-Chloropyridin-3-yl)-5-(((3-(2-fluorophenyl)isoxazol-5-yl)methoxy)methyl)isoxazole
CID 138455364
{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}(phenyl)methanone
CID 1473734
4-(4-Fluorophenyl)-5-(methoxymethyl)-3-pyridin-4-yl-1,2-oxazole
CID 12112331
2-Bromo-4-(5-methoxymethyl-3-(4-fluoro-phenyl)-isoxazol-4-yl)-pyridine
CID 23435655
[3-(2,4-Dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 33693811
(3-Phenyl-1,2-oxazol-5-yl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 36191632
3-(5-Chloropyridin-3-yl)-5-(2,4-difluorophenyl)isoxazole
CID 44545538
3-(5-Chloropyridin-3-yl)-5-(3,5-difluorophenyl)isoxazole
CID 44545541
3-(5-Chloropyridin-3-yl)-5-(3,4,5-trifluorophenyl)isoxazole
CID 44545542

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole (CID 138455362) is 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole is Fc1cccc(-c2cc(COCc3cc(-c4cccnc4Cl)no3)on2)c1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The InChIKey is LAASDNDGSWZNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O3/c20-19-16(5-2-6-22-19)18-9-15(27-24-18)11-25-10-14-8-17(23-26-14)12-3-1-4-13(21)7-12/h1-9H,10-11H2.
What are the key properties of 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole has a molecular weight of 385.78 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-5-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 138455362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).