ethane;5-methyl-2,3-dihydro-1,3-oxazole

C6H13NO — CID 91462622

IUPACethane;5-methyl-2,3-dihydro-1,3-oxazole
SMILESCC.CC1=CNCO1
InChIInChI=1S/C4H7NO.C2H6/c1-4-2-5-3-6-4;1-2/h2,5H,3H2,1H3;1-2H3
InChIKeyVHTRDPZQXNBWMK-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.45
Rot. Bonds

About ethane;5-methyl-2,3-dihydro-1,3-oxazole

ethane;5-methyl-2,3-dihydro-1,3-oxazole (PubChem CID 91462622) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is ethane;5-methyl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Nameethane;5-methyl-2,3-dihydro-1,3-oxazole
PubChem CID91462622
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameethane;5-methyl-2,3-dihydro-1,3-oxazole
SMILESCC.CC1=CNCO1
InChIInChI=1S/C4H7NO.C2H6/c1-4-2-5-3-6-4;1-2/h2,5H,3H2,1H3;1-2H3
InChIKeyVHTRDPZQXNBWMK-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3-dihydro-1,3-oxazole?
The IUPAC name of ethane;5-methyl-2,3-dihydro-1,3-oxazole (CID 91462622) is ethane;5-methyl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for ethane;5-methyl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for ethane;5-methyl-2,3-dihydro-1,3-oxazole is CC.CC1=CNCO1.
What is the InChIKey of ethane;5-methyl-2,3-dihydro-1,3-oxazole?
The InChIKey is VHTRDPZQXNBWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6/c1-4-2-5-3-6-4;1-2/h2,5H,3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2,3-dihydro-1,3-oxazole?
ethane;5-methyl-2,3-dihydro-1,3-oxazole has a molecular weight of 115.18 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 91462622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).