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

C41H39N7O2 — CID 159692258

IUPAC5-methyl-1,2-benzoxazole;6-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.Cc1ccc2oncc2c1
InChIInChI=1S/C9H9N.2C8H8N2.2C8H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(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/h2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3
InChIKeyMWOHXLXNLIKHFZ-UHFFFAOYSA-N
MW661.81 g/mol
LogP10.49
Rot. Bonds

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

5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole (PubChem CID 159692258) has the molecular formula C41H39N7O2 and a molecular weight of 661.81 g/mol. Its IUPAC name is 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole.

Molecular Properties

Compound Name5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
PubChem CID159692258
Molecular FormulaC41H39N7O2
Molecular Weight661.81 g/mol
Exact Mass661.32
IUPAC Name5-methyl-1,2-benzoxazole;6-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.Cc1ccc2oncc2c1
InChIInChI=1S/C9H9N.2C8H8N2.2C8H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(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/h2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3
InChIKeyMWOHXLXNLIKHFZ-UHFFFAOYSA-N
XLogP10.49
TPSA125.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 510.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 69611621
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CID 123223103
3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole
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6-[2-[6-(2-isoquinolin-1-ylpropyl)-2H-indazol-3-yl]propyl]-3-propan-2-yl-1,2-benzoxazole
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3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;3-methyl-1H-indole;toluene
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6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole-3-carboxylic acid;6-tert-butyl-4-oxo-1H-quinoline-2-carboxylic acid;6-tert-butyl-1H-quinolin-4-one
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2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;3-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]pyridine-4-carboxamide
CID 158065768
ethane;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
CID 158217845
5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indene-1,2-dione;7-tert-butyl-3H-indene-1,2-dione;1-tert-butylindole;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;3-tert-butyl-6-methyl-1,2-benzoxazole;3-tert-butyl-1-methylindole;3-tert-butyl-2-methyl-1H-indole
CID 158296089
cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158304437
cumene;2-propan-2-yl-1-benzofuran;3-propan-2-yl-2,1-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;1-propan-2-ylpyrazole
CID 158489989

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;5-methyl-1H-indole?
The IUPAC name of 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole (CID 159692258) is 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole.
What is the SMILES notation for 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole?
The canonical SMILES for 5-methyl-1,2-benzoxazole;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.Cc1ccc2oncc2c1.
What is the InChIKey of 5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole?
The InChIKey is MWOHXLXNLIKHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.2C8H8N2.2C8H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(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/h2-6,10H,1H3;2*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-1H-indole?
5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole has a molecular weight of 661.81 g/mol, XLogP of 10.49, 0 rotatable bonds, 3 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;5-methyl-1H-indole is sourced from PubChem (CID 159692258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).