ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole

C11H19NO — CID 143277087

IUPACethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
SMILESC/C=C\c1nc(C)oc1CC.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;1-2/h4,6H,5H2,1-3H3;1-2H3/b6-4-;
InChIKeyKZZDEJALQYNQEV-YHSAGPEESA-N
MW181.28 g/mol
LogP3.60
Rot. Bonds2

About ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole

ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole (PubChem CID 143277087) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
PubChem CID143277087
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
SMILESC/C=C\c1nc(C)oc1CC.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;1-2/h4,6H,5H2,1-3H3;1-2H3/b6-4-;
InChIKeyKZZDEJALQYNQEV-YHSAGPEESA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole?
The IUPAC name of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole (CID 143277087) is ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole.
What is the SMILES notation for ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole?
The canonical SMILES for ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole is C/C=C\c1nc(C)oc1CC.CC.
What is the InChIKey of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole?
The InChIKey is KZZDEJALQYNQEV-YHSAGPEESA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;1-2/h4,6H,5H2,1-3H3;1-2H3/b6-4-;.
What are the key properties of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole?
ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole is sourced from PubChem (CID 143277087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).