1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole

C19H37N5O — CID 161153455

IUPAC1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NCCN1.CC(C)C1=NCCN1C.CC(C)C1=NCCO1
InChIInChI=1S/C7H14N2.C6H12N2.C6H11NO/c1-6(2)7-8-4-5-9(7)3;2*1-5(2)6-7-3-4-8-6/h6H,4-5H2,1-3H3;5H,3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
InChIKeyUOZJDFCDQSYEOJ-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole

1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 161153455) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID161153455
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NCCN1.CC(C)C1=NCCN1C.CC(C)C1=NCCO1
InChIInChI=1S/C7H14N2.C6H12N2.C6H11NO/c1-6(2)7-8-4-5-9(7)3;2*1-5(2)6-7-3-4-8-6/h6H,4-5H2,1-3H3;5H,3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
InChIKeyUOZJDFCDQSYEOJ-UHFFFAOYSA-N
XLogP2.70
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 161153455) is 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1=NCCN1.CC(C)C1=NCCN1C.CC(C)C1=NCCO1.
What is the InChIKey of 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is UOZJDFCDQSYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C6H12N2.C6H11NO/c1-6(2)7-8-4-5-9(7)3;2*1-5(2)6-7-3-4-8-6/h6H,4-5H2,1-3H3;5H,3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole?
1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 351.54 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-4,5-dihydroimidazole;2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 161153455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).