ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole

C33H61N3O4 — CID 167588089

IUPACethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
SMILESCC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnoc1
InChIInChI=1S/C7H10O.3C6H9NO.4C2H6/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;4*1-2/h3-6H,1-2H3;3*3-5H,1-2H3;4*1-2H3
InChIKeyIBFTWFXQJDBZIB-UHFFFAOYSA-N
MW563.87 g/mol
LogP11.90
Rot. Bonds4

About ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole

ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole (PubChem CID 167588089) has the molecular formula C33H61N3O4 and a molecular weight of 563.87 g/mol. Its IUPAC name is ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Nameethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
PubChem CID167588089
Molecular FormulaC33H61N3O4
Molecular Weight563.87 g/mol
Exact Mass563.47
IUPAC Nameethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
SMILESCC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnoc1
InChIInChI=1S/C7H10O.3C6H9NO.4C2H6/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;4*1-2/h3-6H,1-2H3;3*3-5H,1-2H3;4*1-2H3
InChIKeyIBFTWFXQJDBZIB-UHFFFAOYSA-N
XLogP11.90
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.87
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

3-Methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan
CID 157490743
2-Methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
CID 159842730
5-Ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran
CID 91201109
2-Propan-2-ylfuran;5-propan-2-yl-1,2-oxazole
CID 153583016
2-Tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157074805
2-Methyl-5-propan-2-ylfuran;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran
CID 157618525
2-Methyl-3-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine
CID 157805893
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole
CID 158231391
2-Tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
CID 158262824
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane
CID 158279727
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
CID 158324267
3-Tert-butylfuran;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
CID 158785018

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The IUPAC name of ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole (CID 167588089) is ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The canonical SMILES for ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole is CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnoc1.
What is the InChIKey of ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The InChIKey is IBFTWFXQJDBZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.3C6H9NO.4C2H6/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;4*1-2/h3-6H,1-2H3;3*3-5H,1-2H3;4*1-2H3.
What are the key properties of ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole has a molecular weight of 563.87 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 167588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).