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

C33H32N6O — CID 159046855

IUPAC6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
SMILESCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cnoc2c1
InChIInChI=1S/C9H9N.2C8H8N2.C8H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-5-9-10-8(7)4-6/h2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3
InChIKeyJWTNZZHVQSNTRS-UHFFFAOYSA-N
MW528.66 g/mol
LogP8.36
Rot. Bonds

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

6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole (PubChem CID 159046855) has the molecular formula C33H32N6O and a molecular weight of 528.66 g/mol. Its IUPAC name is 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole.

Molecular Properties

Compound Name6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
PubChem CID159046855
Molecular FormulaC33H32N6O
Molecular Weight528.66 g/mol
Exact Mass528.26
IUPAC Name6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
SMILESCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cnoc2c1
InChIInChI=1S/C9H9N.2C8H8N2.C8H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-5-9-10-8(7)4-6/h2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3
InChIKeyJWTNZZHVQSNTRS-UHFFFAOYSA-N
XLogP8.36
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 58.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane
CID 159413501
3,5-dimethyl-4-[7-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane
CID 160488390
5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole
CID 10473198
3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole
CID 11726411
5-[[6-(1H-indol-4-yl)-1H-indazol-4-yl]methyl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 66693757
4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 67029058
3-(4-ethylphenyl)-5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,1-benzoxazole;5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-phenyl-2,1-benzoxazole
CID 69611621
N-[1-(1,2-benzoxazol-3-ylmethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 117650560
3,5-dimethyl-4-[3-(5-methyl-1H-pyrazol-4-yl)-4-[phenyl(pyridin-2-yl)methyl]-1H-indazol-6-yl]-1,2-oxazole
CID 118961607
3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-1H-indazol-5-yl]-1,2-oxazole
CID 121293029
3,5-dimethyl-4-[7-(2-methyl-3-pyridinyl)-1H-indazol-5-yl]-1,2-oxazole
CID 121293057
3-methyl-7-[3-(3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-5-(1,2-oxazol-5-yl)phenyl]-4-(1H-pyrrol-3-yl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 123223103

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole?
The IUPAC name of 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole (CID 159046855) is 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole.
What is the SMILES notation for 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole?
The canonical SMILES for 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole is Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cnoc2c1.
What is the InChIKey of 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole?
The InChIKey is JWTNZZHVQSNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.2C8H8N2.C8H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-5-9-10-8(7)4-6/h2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3.
What are the key properties of 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole?
6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole has a molecular weight of 528.66 g/mol, XLogP of 8.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole is sourced from PubChem (CID 159046855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).