3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one

C74H86N6O8 — CID 157231551

IUPAC3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one
SMILESC.C=C1Cc2cc(C(C)C)ccc2O1.CC(C)(C)c1coc2cccnc12.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1
InChIInChI=1S/C12H14O.C11H13NO.C10H11NO2.4C10H11NO.CH4/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;/h4-5,7-8H,3,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H,11,12);4*3-7H,1-2H3;1H4
InChIKeyAUDWSCFTDGXSFK-UHFFFAOYSA-N
MW1187.54 g/mol
LogP21.07
Rot. Bonds6

About 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one

3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one (PubChem CID 157231551) has the molecular formula C74H86N6O8 and a molecular weight of 1187.54 g/mol. Its IUPAC name is 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one
PubChem CID157231551
Molecular FormulaC74H86N6O8
Molecular Weight1187.54 g/mol
Exact Mass1186.65
IUPAC Name3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one
SMILESC.C=C1Cc2cc(C(C)C)ccc2O1.CC(C)(C)c1coc2cccnc12.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1
InChIInChI=1S/C12H14O.C11H13NO.C10H11NO2.4C10H11NO.CH4/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;/h4-5,7-8H,3,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H,11,12);4*3-7H,1-2H3;1H4
InChIKeyAUDWSCFTDGXSFK-UHFFFAOYSA-N
XLogP21.07
TPSA185.38 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.54
LogP ≤ 521.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-(5-methyl-1-benzofuran-3-yl)carbamate;bis(3-fluoro-5-methyl-1-benzofuran);1-(3-methylphenyl)ethanone;bis(6-methyl-5-(trifluoromethyl)-1,3-benzoxazole)
CID 157877169
bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indene
CID 157234969
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;2-methylnaphthalene
CID 157248855
6-Tert-butyl-1-benzofuran-2-amine;4-tert-butylfuro[3,2-c]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole
CID 157360866
4-Methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;7-methyl-1-benzofuran;6-methyl-1,3-benzoxazole;7-methyl-1,3-benzoxazole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;7-methyl-2,3-dihydroisoindol-1-one
CID 157379655
Methane;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole
CID 159089028
Bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)
CID 159089981
Methane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole
CID 159151663
5-[[2-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 159240160
2,7-Dimethyl-1,3-benzoxazole;4,6-dimethyl-1,3-benzoxazole;4,7-dimethyl-1,3-benzoxazole;5,6-dimethyl-1,3-benzoxazole;5,7-dimethyl-1,3-benzoxazole;6,7-dimethyl-1,3-benzoxazole
CID 159304257
5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indene
CID 159420772
Bis(5-propan-2-yl-1-benzofuran);5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)
CID 159538310

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one (CID 157231551) is 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one is C.C=C1Cc2cc(C(C)C)ccc2O1.CC(C)(C)c1coc2cccnc12.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.
What is the InChIKey of 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is AUDWSCFTDGXSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C11H13NO.C10H11NO2.4C10H11NO.CH4/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;/h4-5,7-8H,3,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H,11,12);4*3-7H,1-2H3;1H4.
What are the key properties of 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one?
3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 1187.54 g/mol, XLogP of 21.07, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylfuro[3,2-b]pyridine;methane;2-methylidene-5-propan-2-yl-3H-1-benzofuran;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 157231551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).