4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole

C18H28N2O2 — CID 135280518

IUPAC4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cc(C(C)(C)CC(C)c2coc(C(C)C)n2)on1
InChIInChI=1S/C18H28N2O2/c1-11(2)14-8-16(22-20-14)18(6,7)9-13(5)15-10-21-17(19-15)12(3)4/h8,10-13H,9H2,1-7H3
InChIKeyCVWYYQDGCBYWMM-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.38
Rot. Bonds6

About 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole

4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole (PubChem CID 135280518) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole
PubChem CID135280518
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cc(C(C)(C)CC(C)c2coc(C(C)C)n2)on1
InChIInChI=1S/C18H28N2O2/c1-11(2)14-8-16(22-20-14)18(6,7)9-13(5)15-10-21-17(19-15)12(3)4/h8,10-13H,9H2,1-7H3
InChIKeyCVWYYQDGCBYWMM-UHFFFAOYSA-N
XLogP5.38
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole (CID 135280518) is 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole is CC(C)c1cc(C(C)(C)CC(C)c2coc(C(C)C)n2)on1.
What is the InChIKey of 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is CVWYYQDGCBYWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-11(2)14-8-16(22-20-14)18(6,7)9-13(5)15-10-21-17(19-15)12(3)4/h8,10-13H,9H2,1-7H3.
What are the key properties of 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole?
4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 304.43 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 135280518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).