methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)

C53H80N4O2 — CID 165027163

IUPACmethane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)
SMILESC.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)o1
InChIInChI=1S/2C10H14.2C9H13N.2C7H11NO.CH4/c2*1-8(2)10-6-4-5-9(3)7-10;2*1-7(2)9-4-5-10-8(3)6-9;2*1-5(2)7-8-4-6(3)9-7;/h2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-5H,1-3H3;1H4
InChIKeyMBOXSGKXRCDEBS-UHFFFAOYSA-N
MW805.25 g/mol
LogP16.11
Rot. Bonds6

About methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)

methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine) (PubChem CID 165027163) has the molecular formula C53H80N4O2 and a molecular weight of 805.25 g/mol. Its IUPAC name is methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine).

Molecular Properties

Compound Namemethane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)
PubChem CID165027163
Molecular FormulaC53H80N4O2
Molecular Weight805.25 g/mol
Exact Mass804.63
IUPAC Namemethane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)
SMILESC.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)o1
InChIInChI=1S/2C10H14.2C9H13N.2C7H11NO.CH4/c2*1-8(2)10-6-4-5-9(3)7-10;2*1-7(2)9-4-5-10-8(3)6-9;2*1-5(2)7-8-4-6(3)9-7;/h2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-5H,1-3H3;1H4
InChIKeyMBOXSGKXRCDEBS-UHFFFAOYSA-N
XLogP16.11
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.25
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 72111579
(E)-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[(4-pyridin-4-ylphenyl)methyl]prop-2-enamide
CID 67384521
N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[(4-pyridin-4-ylphenyl)methyl]prop-2-enamide
CID 67384522
N-[1-[4-(dimethylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[(4-pyridin-4-ylphenyl)methyl]prop-2-enamide
CID 67384523
Cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole
CID 158211938
3-Fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine
CID 159808907
methane;2-methylpropylbenzene;2-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)pyridine;5-(2-methylpropyl)-2H-pyrrole
CID 161274562
5-[4-[4-[4-(1-deuteriocyclohexyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(2-deuteriopropan-2-yl)-6H-1,3-benzoxazol-6-ide;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 162465915
Methane;1-methyl-3-propan-2-ylbenzene;bis(5-methyl-2-propan-2-yl-1,3-oxazole);tris(2-methyl-4-propan-2-ylpyridine)
CID 164967720
methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;5-(2-methylpropyl)-2H-pyrrole
CID 167651340
2,3-Dipyridin-3-ylpyridine;bis(1,3-oxazole)
CID 175086660

Frequently Asked Questions

What is the IUPAC name of methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)?
The IUPAC name of methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine) (CID 165027163) is methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine).
What is the SMILES notation for methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)?
The canonical SMILES for methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine) is C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)o1.
What is the InChIKey of methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)?
The InChIKey is MBOXSGKXRCDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.2C9H13N.2C7H11NO.CH4/c2*1-8(2)10-6-4-5-9(3)7-10;2*1-7(2)9-4-5-10-8(3)6-9;2*1-5(2)7-8-4-6(3)9-7;/h2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-5H,1-3H3;1H4.
What are the key properties of methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)?
methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine) has a molecular weight of 805.25 g/mol, XLogP of 16.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine) is sourced from PubChem (CID 165027163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).