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

C19H32N2O2 — CID 157472924

IUPAC3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1conc1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C10H17NO.C9H15NO/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h6-7H,1-5H3;5-7H,1-4H3
InChIKeyBVGHGGCFBDGJHX-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.15
Rot. Bonds4

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

3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 157472924) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID157472924
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1conc1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C10H17NO.C9H15NO/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h6-7H,1-5H3;5-7H,1-4H3
InChIKeyBVGHGGCFBDGJHX-UHFFFAOYSA-N
XLogP6.15
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 157472924) is 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is CC(C)c1conc1C(C)C.Cc1onc(C(C)C)c1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is BVGHGGCFBDGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C9H15NO/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h6-7H,1-5H3;5-7H,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 320.48 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 157472924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).