1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole

C30H52N4O2 — CID 160539860

IUPAC1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1ncn(C)c1C(C)C.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C10H18N2.2C10H17NO/c1-7(2)9-10(8(3)4)12(5)6-11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4/h6-8H,1-5H3;2*6-7H,1-5H3
InChIKeyQWQICHOCNIYXHM-UHFFFAOYSA-N
MW500.77 g/mol
LogP9.13
Rot. Bonds6

About 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole

1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 160539860) has the molecular formula C30H52N4O2 and a molecular weight of 500.77 g/mol. Its IUPAC name is 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID160539860
Molecular FormulaC30H52N4O2
Molecular Weight500.77 g/mol
Exact Mass500.41
IUPAC Name1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1ncn(C)c1C(C)C.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C10H18N2.2C10H17NO/c1-7(2)9-10(8(3)4)12(5)6-11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4/h6-8H,1-5H3;2*6-7H,1-5H3
InChIKeyQWQICHOCNIYXHM-UHFFFAOYSA-N
XLogP9.13
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 160539860) is 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is CC(C)c1ncn(C)c1C(C)C.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C.
What is the InChIKey of 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is QWQICHOCNIYXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.2C10H17NO/c1-7(2)9-10(8(3)4)12(5)6-11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4/h6-8H,1-5H3;2*6-7H,1-5H3.
What are the key properties of 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 500.77 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 160539860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).