ethane;5-methyl-4,5-dihydro-1,2-oxazole

C10H25NO — CID 91028446

IUPACethane;5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC.CC.CC.CC1CC=NO1
InChIInChI=1S/C4H7NO.3C2H6/c1-4-2-3-5-6-4;3*1-2/h3-4H,2H2,1H3;3*1-2H3
InChIKeyNJLVEPXMCXHLJU-UHFFFAOYSA-N
MW175.32 g/mol
LogP3.86
Rot. Bonds

About ethane;5-methyl-4,5-dihydro-1,2-oxazole

ethane;5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 91028446) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is ethane;5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameethane;5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID91028446
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Nameethane;5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC.CC.CC.CC1CC=NO1
InChIInChI=1S/C4H7NO.3C2H6/c1-4-2-3-5-6-4;3*1-2/h3-4H,2H2,1H3;3*1-2H3
InChIKeyNJLVEPXMCXHLJU-UHFFFAOYSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of ethane;5-methyl-4,5-dihydro-1,2-oxazole (CID 91028446) is ethane;5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for ethane;5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for ethane;5-methyl-4,5-dihydro-1,2-oxazole is CC.CC.CC.CC1CC=NO1.
What is the InChIKey of ethane;5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NJLVEPXMCXHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.3C2H6/c1-4-2-3-5-6-4;3*1-2/h3-4H,2H2,1H3;3*1-2H3.
What are the key properties of ethane;5-methyl-4,5-dihydro-1,2-oxazole?
ethane;5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 175.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91028446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).