5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole

C19H12N4O2 — CID 53141037

IUPAC5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4nccc5ccccc45)n3)ccc2o1
InChIInChI=1S/C19H12N4O2/c1-11-21-15-10-13(6-7-16(15)24-11)18-22-19(25-23-18)17-14-5-3-2-4-12(14)8-9-20-17/h2-10H,1H3
InChIKeyHAJAPCOBVPWBPS-UHFFFAOYSA-N
MW328.33 g/mol
LogP4.40
Rot. Bonds2

About 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole

5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole (PubChem CID 53141037) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole
PubChem CID53141037
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4nccc5ccccc45)n3)ccc2o1
InChIInChI=1S/C19H12N4O2/c1-11-21-15-10-13(6-7-16(15)24-11)18-22-19(25-23-18)17-14-5-3-2-4-12(14)8-9-20-17/h2-10H,1H3
InChIKeyHAJAPCOBVPWBPS-UHFFFAOYSA-N
XLogP4.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[5-(5-phenyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141021
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-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141122
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562

Frequently Asked Questions

What is the IUPAC name of 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole (CID 53141037) is 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4nccc5ccccc45)n3)ccc2o1.
What is the InChIKey of 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole?
The InChIKey is HAJAPCOBVPWBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c1-11-21-15-10-13(6-7-16(15)24-11)18-22-19(25-23-18)17-14-5-3-2-4-12(14)8-9-20-17/h2-10H,1H3.
What are the key properties of 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole?
5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole has a molecular weight of 328.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 53141037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).