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

C133H219N11O5 — CID 157248855

IUPAC1,5-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
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1
InChIInChI=1S/C11H10.C10H11NO.2C10H11N.2C9H10N2.4C8H7NO.20C2H6.2CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;20*1-2;;/h2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4*2-5H,1H3;20*1-2H3;2*1H4
InChIKeyAWCIQLAXZXLWOE-UHFFFAOYSA-N
MW2052.29 g/mol
LogP43.81
Rot. Bonds

About 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

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 (PubChem CID 157248855) has the molecular formula C133H219N11O5 and a molecular weight of 2052.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-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
PubChem CID157248855
Molecular FormulaC133H219N11O5
Molecular Weight2052.29 g/mol
Exact Mass2050.72
IUPAC Name1,5-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
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1
InChIInChI=1S/C11H10.C10H11NO.2C10H11N.2C9H10N2.4C8H7NO.20C2H6.2CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;20*1-2;;/h2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4*2-5H,1H3;20*1-2H3;2*1H4
InChIKeyAWCIQLAXZXLWOE-UHFFFAOYSA-N
XLogP43.81
TPSA169.93 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.29
LogP ≤ 543.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

9-(1,3-Benzoxazol-6-yl)-20-[12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaen-7-yl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 130369548
2-[3,5-Diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole
CID 144724841
5-[9-[4-[10-(13-Carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 146892103
1,4-dimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile;3-oxa-5,23-diaza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,21-decaene-18-carbonitrile;10-oxa-8,14-diaza-22-azoniahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),4(9),5,7,12,15,17,19,21-decaene-19-carbonitrile;1,2,4-trimethyl-12H-indazolo[1,2-a]indazol-11-ium-9-carbonitrile
CID 157060413
5,7-Bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole
CID 157104878
N,N-diphenyl-4-[2-(6-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline;2-[(E)-2-(5-methoxy-2,4-dimethylphenyl)ethenyl]-6-[4-[4-(4-methylphenyl)phenyl]phenyl]-1,3-benzoxazole;4-methyl-N-[4-[2-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]ethenyl]phenyl]-N-phenylaniline;bis(5-methyl-2-prop-1-enyl-1,3-benzoxazole);N-phenyl-N-[4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 157150600
2-isocyano-6,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium;18-isocyano-10-oxa-8,14-diaza-22-azoniahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),4(9),5,7,12,15(20),16,18,21-decaene;19-isocyano-3-oxa-5,23-diaza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,15,17(22),18,20-decaene;2-isocyano-6,8,9-trimethyl-10H-indazolo[1,2-a]indazol-11-ium
CID 157151930
7-(4-Ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;3-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
CID 157171816
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
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157277947
2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole
CID 157423783
4-Naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;4-naphthalen-2-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-naphthalen-2-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;6-naphthalen-2-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 157456552

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.
What is the InChIKey of 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?
The InChIKey is AWCIQLAXZXLWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H11NO.2C10H11N.2C9H10N2.4C8H7NO.20C2H6.2CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;20*1-2;;/h2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4*2-5H,1H3;20*1-2H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2052.29 g/mol, XLogP of 43.81, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157248855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).