5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole

C15H14FN3O3 — CID 91650127

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(COc2ccccc2F)no1
InChIInChI=1S/C15H14FN3O3/c1-9-11(10(2)21-18-9)7-15-17-14(19-22-15)8-20-13-6-4-3-5-12(13)16/h3-6H,7-8H2,1-2H3
InChIKeyGNOCPMHDJRDSPH-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.98
Rot. Bonds5

About 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 91650127) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID91650127
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(COc2ccccc2F)no1
InChIInChI=1S/C15H14FN3O3/c1-9-11(10(2)21-18-9)7-15-17-14(19-22-15)8-20-13-6-4-3-5-12(13)16/h3-6H,7-8H2,1-2H3
InChIKeyGNOCPMHDJRDSPH-UHFFFAOYSA-N
XLogP2.98
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 120893585
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497
4-[[3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 100802328
2,6-difluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765645
4-fluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765653
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881964
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790985

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole (CID 91650127) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole is Cc1noc(C)c1Cc1nc(COc2ccccc2F)no1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is GNOCPMHDJRDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-9-11(10(2)21-18-9)7-15-17-14(19-22-15)8-20-13-6-4-3-5-12(13)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 303.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91650127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).