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

C56H88N4O — CID 167651340

IUPACmethane;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
SMILESC.C.CC(C)CC1=NCC=C1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ncco1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16.C10H14.2C9H13N.C8H13N.C7H11NO.2CH4/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;;/h4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3;2*1H4
InChIKeyQPXVUKBOQUODNE-UHFFFAOYSA-N
MW833.35 g/mol
LogP15.83
Rot. Bonds12

About 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

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 (PubChem CID 167651340) has the molecular formula C56H88N4O and a molecular weight of 833.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID167651340
Molecular FormulaC56H88N4O
Molecular Weight833.35 g/mol
Exact Mass832.70
IUPAC Namemethane;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
SMILESC.C.CC(C)CC1=NCC=C1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ncco1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16.C10H14.2C9H13N.C8H13N.C7H11NO.2CH4/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;;/h4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3;2*1H4
InChIKeyQPXVUKBOQUODNE-UHFFFAOYSA-N
XLogP15.83
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.35
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]methyl]acetamide
CID 122696105
2-[[4-[2-Fluoro-4-[(3-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole
CID 161705227
2-[[4-[2-Fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole
CID 162070377
2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole
CID 175960572
1-(1,3-Oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one
CID 16747088
2-methyl-1-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
CID 121351178
2-methyl-3-(1,3-oxazol-2-yl)-1-[(6-propan-2-yl-2-pyridinyl)methyl]-2H-pyrazin-5-amine
CID 121351275
(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine
CID 122650707
1-[3-(2-Methyl-3-pyridinyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654125
CID 153495295
CID 153495295
CID 153495303
CID 153495303
2-[2-[(2R,6S)-2-(2-methyl-3H-imidazo[1,2-a]pyridin-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
CID 155373966

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)CC1=NCC=C1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ncco1.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is QPXVUKBOQUODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H14.2C9H13N.C8H13N.C7H11NO.2CH4/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;;/h4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 833.35 g/mol, XLogP of 15.83, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).