5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole

C32H30N6O2 — CID 159145733

IUPAC5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole
SMILESCc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cnoc2c1.Cc1ccc2oncc2c1
InChIInChI=1S/2C8H8N2.2C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6/h2*2-5H,1H3,(H,9,10);2*2-5H,1H3
InChIKeyKIQPYWOXVZLGOM-UHFFFAOYSA-N
MW530.63 g/mol
LogP8.02
Rot. Bonds

About 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole

5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole (PubChem CID 159145733) has the molecular formula C32H30N6O2 and a molecular weight of 530.63 g/mol. Its IUPAC name is 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole.

Molecular Properties

Compound Name5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole
PubChem CID159145733
Molecular FormulaC32H30N6O2
Molecular Weight530.63 g/mol
Exact Mass530.24
IUPAC Name5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole
SMILESCc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cnoc2c1.Cc1ccc2oncc2c1
InChIInChI=1S/2C8H8N2.2C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6/h2*2-5H,1H3,(H,9,10);2*2-5H,1H3
InChIKeyKIQPYWOXVZLGOM-UHFFFAOYSA-N
XLogP8.02
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
The IUPAC name of 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole (CID 159145733) is 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole.
What is the SMILES notation for 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
The canonical SMILES for 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole is Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cnoc2c1.Cc1ccc2oncc2c1.
What is the InChIKey of 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
The InChIKey is KIQPYWOXVZLGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N2.2C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6/h2*2-5H,1H3,(H,9,10);2*2-5H,1H3.
What are the key properties of 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole has a molecular weight of 530.63 g/mol, XLogP of 8.02, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole is sourced from PubChem (CID 159145733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).