ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole

C84H181N13O3 — CID 162116768

About ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole

ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 162116768) has the molecular formula C84H181N13O3 and a molecular weight of 1421.46 g/mol. Its IUPAC name is ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

• Compound Name: ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole
• PubChem CID: 162116768
• Molecular Formula: C84H181N13O3
• Molecular Weight: 1421.46 g/mol
• Exact Mass: 1420.44
• IUPAC Name: ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCCC1.CC(C)C1=NNCC1.CC(C)C1=NOCC1.CC(C)C1C=NCC1.CC(C)C1C=NNC1.CC(C)C1C=NOC1.CC(C)C1CC=NC1.CC(C)C1CC=NN1.CC(C)C1CC=NO1.CC(C)C1CCC=N1
• InChI: InChI=1S/4C7H13N.3C6H12N2.3C6H11NO.10C2H6/c2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;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;10*1-2/h5-7H,3-4H2,1-2H3;4,6-7H,3,5H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;3,5-6,8H,4H2,1-2H3;5,7H,3-4H2,1-2H3;4-6,8H,3H2,1-2H3;3,5-6H,4H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;10*1-2H3
• InChIKey: ZGWHKSJHELLFDL-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 187.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1421.46
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole?

The IUPAC name of ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole (CID 162116768) is ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole.

What is the SMILES notation for ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole?

The canonical SMILES for ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCCC1.CC(C)C1=NNCC1.CC(C)C1=NOCC1.CC(C)C1C=NCC1.CC(C)C1C=NNC1.CC(C)C1C=NOC1.CC(C)C1CC=NC1.CC(C)C1CC=NN1.CC(C)C1CC=NO1.CC(C)C1CCC=N1.

What is the InChIKey of ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole?

The InChIKey is ZGWHKSJHELLFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H13N.3C6H12N2.3C6H11NO.10C2H6/c2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;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;10*1-2/h5-7H,3-4H2,1-2H3;4,6-7H,3,5H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;3,5-6,8H,4H2,1-2H3;5,7H,3-4H2,1-2H3;4-6,8H,3H2,1-2H3;3,5-6H,4H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;10*1-2H3.

What are the key properties of ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole?

ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 1421.46 g/mol, XLogP of 24.42, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-propan-2-yl-4,5-dihydro-1,2-oxazole;4-propan-2-yl-4,5-dihydro-1,2-oxazole;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-4,5-dihydro-1H-pyrazole;4-propan-2-yl-4,5-dihydro-1H-pyrazole;5-propan-2-yl-4,5-dihydro-1H-pyrazole;2-propan-2-yl-3,4-dihydro-2H-pyrrole;3-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-yl-3,4-dihydro-2H-pyrrole;5-propan-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162116768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).