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

C76H101N7O7 — CID 159089028

IUPACmethane;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
SMILESC.C.C.C.C.C.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1cccc2cnoc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2oncc12.CC(C)c1noc2ccccc12
InChIInChI=1S/7C10H11NO.6CH4/c1-7(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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)12-11-10;;;;;;/h7*3-7H,1-2H3;6*1H4
InChIKeyKBUYSVGHNZBJDE-UHFFFAOYSA-N
MW1224.69 g/mol
LogP24.48
Rot. Bonds7

About 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

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 (PubChem CID 159089028) has the molecular formula C76H101N7O7 and a molecular weight of 1224.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID159089028
Molecular FormulaC76H101N7O7
Molecular Weight1224.69 g/mol
Exact Mass1223.78
IUPAC Namemethane;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
SMILESC.C.C.C.C.C.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1cccc2cnoc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2oncc12.CC(C)c1noc2ccccc12
InChIInChI=1S/7C10H11NO.6CH4/c1-7(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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)12-11-10;;;;;;/h7*3-7H,1-2H3;6*1H4
InChIKeyKBUYSVGHNZBJDE-UHFFFAOYSA-N
XLogP24.48
TPSA182.21 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001224.69
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
5-[2,4-Bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 159325810
3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
CID 167702930
7-Ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 91154591
4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole
CID 91173603
5-[7-(1,3-Benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole
CID 118490662
5-[7-(1,3-Benzoxazol-6-yl)phenanthren-2-yl]-1,3-benzoxazole
CID 121287236
1,2-Benzoxazole;bis(1,3-benzoxazole)
CID 121484823
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
6-[2-[6-[3-[9-Dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
CID 134566160
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole
CID 141414017
1,2-Benzoxazole;6-methyl-1,3-benzoxazole
CID 143880138

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1cccc2cnoc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2oncc12.CC(C)c1noc2ccccc12.
What is the InChIKey of 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?
The InChIKey is KBUYSVGHNZBJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/7C10H11NO.6CH4/c1-7(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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)12-11-10;;;;;;/h7*3-7H,1-2H3;6*1H4.
What are the key properties of 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?
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 has a molecular weight of 1224.69 g/mol, XLogP of 24.48, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159089028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).