2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole

C19H12N4O3 — CID 53141021

IUPAC2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ncoc4-c4ccccc4)n3)ccc2o1
InChIInChI=1S/C19H12N4O3/c1-11-21-14-9-13(7-8-15(14)25-11)18-22-19(26-23-18)16-17(24-10-20-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCIPAXGITJLCMOY-UHFFFAOYSA-N
MW344.33 g/mol
LogP4.51
Rot. Bonds3

About 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole

2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (PubChem CID 53141021) has the molecular formula C19H12N4O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
PubChem CID53141021
Molecular FormulaC19H12N4O3
Molecular Weight344.33 g/mol
Exact Mass344.09
IUPAC Name2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ncoc4-c4ccccc4)n3)ccc2o1
InChIInChI=1S/C19H12N4O3/c1-11-21-14-9-13(7-8-15(14)25-11)18-22-19(26-23-18)16-17(24-10-20-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCIPAXGITJLCMOY-UHFFFAOYSA-N
XLogP4.51
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole
CID 53141037
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141075
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53140950
5-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141067
2-methyl-5-[5-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140965
2-methyl-5-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141055
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
CID 53141190
2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole
CID 116854898
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 71842801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (CID 53141021) is 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4ncoc4-c4ccccc4)n3)ccc2o1.
What is the InChIKey of 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The InChIKey is CIPAXGITJLCMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3/c1-11-21-14-9-13(7-8-15(14)25-11)18-22-19(26-23-18)16-17(24-10-20-16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole has a molecular weight of 344.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 53141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).