methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole

C43H53N5O3 — CID 158109329

IUPACmethane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
SMILESC.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1nc2ccccc2o1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/2C11H13NO.C10H12N2.C10H11NO.CH4/c2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;/h2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;1H4
InChIKeyFQFQYCQJRSYDAD-UHFFFAOYSA-N
MW687.93 g/mol
LogP12.79
Rot. Bonds4

About methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole

methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole (PubChem CID 158109329) has the molecular formula C43H53N5O3 and a molecular weight of 687.93 g/mol. Its IUPAC name is methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole.

Molecular Properties

Compound Namemethane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
PubChem CID158109329
Molecular FormulaC43H53N5O3
Molecular Weight687.93 g/mol
Exact Mass687.41
IUPAC Namemethane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
SMILESC.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1nc2ccccc2o1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/2C11H13NO.C10H12N2.C10H11NO.CH4/c2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;/h2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;1H4
InChIKeyFQFQYCQJRSYDAD-UHFFFAOYSA-N
XLogP12.79
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.93
LogP ≤ 512.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole 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

1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-benzooxazol-5-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380488
3-(benzo[d]oxazol-2-yl)-5-(1-ethyl-1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 90111435
US11352339, Example 135
CID 130454479
5,7-ditert-butyl-2-(1H-pyrazol-3-yl)-1,3-benzoxazole
CID 16727575
5-[3-(1H-pyrazol-3-yl)phenyl]-2-(3-pyridinyl)-1,3-benzoxazole
CID 29209243
2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole
CID 31160570
N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide
CID 50969207
1-(4-fluorophenyl)-3-[3-[4-(5-phenyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]urea
CID 21956540
1-[4-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-(4-fluorophenyl)urea
CID 21956572
2-fluoro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide
CID 21956734
N-[3-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(3-fluorophenyl)acetamide
CID 21956751
(E)-N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]prop-2-enamide
CID 69209257

Frequently Asked Questions

What is the IUPAC name of methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
The IUPAC name of methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole (CID 158109329) is methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole.
What is the SMILES notation for methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
The canonical SMILES for methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole is C.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1nc2ccccc2o1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
The InChIKey is FQFQYCQJRSYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13NO.C10H12N2.C10H11NO.CH4/c2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;/h2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;1H4.
What are the key properties of methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole has a molecular weight of 687.93 g/mol, XLogP of 12.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(5-methyl-2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole is sourced from PubChem (CID 158109329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).