methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole

C94H177N10O2S+ — CID 163900305

IUPACmethane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole
SMILESC.CC(C)(C)C1=C(C(C)(C)C)N=[N+](C(C)(C)C)C1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)n(O)c1C(C)(C)C.CCn1c(C(C)(C)C)nc(C(C)(C)C)c1C(C)(C)C.Cn1c(C(C)(C)C)nc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C17H32N2.C16H30N2.C15H28N2O.C15H29N2.C15H27NO.C15H27NS.CH4/c1-11-19-13(16(5,6)7)12(15(2,3)4)18-14(19)17(8,9)10;1-14(2,3)11-12(15(4,5)6)18(10)13(17-11)16(7,8)9;1-13(2,3)10-11(14(4,5)6)17(18)12(16-10)15(7,8)9;1-13(2,3)11-10-17(15(7,8)9)16-12(11)14(4,5)6;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;/h11H2,1-10H3;1-10H3;18H,1-9H3;10H2,1-9H3;2*1-9H3;1H4/q;;;+1;;;
InChIKeyLWRFIUZGLBLNBY-UHFFFAOYSA-N
MW1511.58 g/mol
LogP27.97
Rot. Bonds1

About methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole

methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole (PubChem CID 163900305) has the molecular formula C94H177N10O2S+ and a molecular weight of 1511.58 g/mol. Its IUPAC name is methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole.

Molecular Properties

Compound Namemethane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole
PubChem CID163900305
Molecular FormulaC94H177N10O2S+
Molecular Weight1511.58 g/mol
Exact Mass1510.38
IUPAC Namemethane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole
SMILESC.CC(C)(C)C1=C(C(C)(C)C)N=[N+](C(C)(C)C)C1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)n(O)c1C(C)(C)C.CCn1c(C(C)(C)C)nc(C(C)(C)C)c1C(C)(C)C.Cn1c(C(C)(C)C)nc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C17H32N2.C16H30N2.C15H28N2O.C15H29N2.C15H27NO.C15H27NS.CH4/c1-11-19-13(16(5,6)7)12(15(2,3)4)18-14(19)17(8,9)10;1-14(2,3)11-12(15(4,5)6)18(10)13(17-11)16(7,8)9;1-13(2,3)10-11(14(4,5)6)17(18)12(16-10)15(7,8)9;1-13(2,3)11-10-17(15(7,8)9)16-12(11)14(4,5)6;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;/h11H2,1-10H3;1-10H3;18H,1-9H3;10H2,1-9H3;2*1-9H3;1H4/q;;;+1;;;
InChIKeyLWRFIUZGLBLNBY-UHFFFAOYSA-N
XLogP27.97
TPSA127.98 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.58
LogP ≤ 527.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole with MolForge

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Related Compounds

Bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
CID 158307035
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole
CID 159151122

Frequently Asked Questions

What is the IUPAC name of methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole?
The IUPAC name of methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole (CID 163900305) is methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole.
What is the SMILES notation for methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole?
The canonical SMILES for methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole is C.CC(C)(C)C1=C(C(C)(C)C)N=[N+](C(C)(C)C)C1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)n(O)c1C(C)(C)C.CCn1c(C(C)(C)C)nc(C(C)(C)C)c1C(C)(C)C.Cn1c(C(C)(C)C)nc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole?
The InChIKey is LWRFIUZGLBLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.C16H30N2.C15H28N2O.C15H29N2.C15H27NO.C15H27NS.CH4/c1-11-19-13(16(5,6)7)12(15(2,3)4)18-14(19)17(8,9)10;1-14(2,3)11-12(15(4,5)6)18(10)13(17-11)16(7,8)9;1-13(2,3)10-11(14(4,5)6)17(18)12(16-10)15(7,8)9;1-13(2,3)11-10-17(15(7,8)9)16-12(11)14(4,5)6;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;/h11H2,1-10H3;1-10H3;18H,1-9H3;10H2,1-9H3;2*1-9H3;1H4/q;;;+1;;;.
What are the key properties of methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole?
methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole has a molecular weight of 1511.58 g/mol, XLogP of 27.97, 1 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole is sourced from PubChem (CID 163900305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).