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

C27H41N3O3 — CID 155117046

IUPAC4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole
SMILESCC(C)c1cc(C(C)CC(C)(C)c2coc(C(C)CC(C)(C)c3cnc(C(C)C)o3)n2)on1
InChIInChI=1S/C27H41N3O3/c1-16(2)20-11-21(33-30-20)18(5)12-26(7,8)22-15-31-25(29-22)19(6)13-27(9,10)23-14-28-24(32-23)17(3)4/h11,14-19H,12-13H2,1-10H3
InChIKeyHYTJYDHAIOSMGH-UHFFFAOYSA-N
MW455.64 g/mol
LogP7.84
Rot. Bonds10

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

4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole (PubChem CID 155117046) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole
PubChem CID155117046
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole
SMILESCC(C)c1cc(C(C)CC(C)(C)c2coc(C(C)CC(C)(C)c3cnc(C(C)C)o3)n2)on1
InChIInChI=1S/C27H41N3O3/c1-16(2)20-11-21(33-30-20)18(5)12-26(7,8)22-15-31-25(29-22)19(6)13-27(9,10)23-14-28-24(32-23)17(3)4/h11,14-19H,12-13H2,1-10H3
InChIKeyHYTJYDHAIOSMGH-UHFFFAOYSA-N
XLogP7.84
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.64
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3,3-Dimethyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one
CID 58201704
3-Methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58297175
3,3-Dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58297251
4-[2-Methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole
CID 135280394
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
2-Propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole
CID 135280627
2-Tert-butyl-5-[2-methyl-2-[5-[2-methyl-2-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole
CID 137510196
2-Tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole
CID 139317578
2,4-Dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
CID 139373420
4-Methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
CID 139425569
2-Methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole
CID 146367104
2-Tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole
CID 155476396

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole?
The IUPAC name of 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole (CID 155117046) is 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole?
The canonical SMILES for 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole is CC(C)c1cc(C(C)CC(C)(C)c2coc(C(C)CC(C)(C)c3cnc(C(C)C)o3)n2)on1.
What is the InChIKey of 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole?
The InChIKey is HYTJYDHAIOSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-16(2)20-11-21(33-30-20)18(5)12-26(7,8)22-15-31-25(29-22)19(6)13-27(9,10)23-14-28-24(32-23)17(3)4/h11,14-19H,12-13H2,1-10H3.
What are the key properties of 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole?
4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole has a molecular weight of 455.64 g/mol, XLogP of 7.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-[4-methyl-4-(2-propan-2-yl-1,3-oxazol-5-yl)pentan-2-yl]-1,3-oxazole is sourced from PubChem (CID 155117046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).