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

C10H17NO — CID 142987013

IUPAC2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane
SMILESC/C=C\c1nc(C)oc1C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-4-5-8-6(2)10-7(3)9-8;1-2/h4-5H,1-3H3;1-2H3/b5-4-;
InChIKeyIJKPJDLXGFFTBZ-MKWAYWHRSA-N
MW167.25 g/mol
LogP3.35
Rot. Bonds1

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

2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane (PubChem CID 142987013) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane.

Molecular Properties

Compound Name2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane
PubChem CID142987013
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane
SMILESC/C=C\c1nc(C)oc1C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-4-5-8-6(2)10-7(3)9-8;1-2/h4-5H,1-3H3;1-2H3/b5-4-;
InChIKeyIJKPJDLXGFFTBZ-MKWAYWHRSA-N
XLogP3.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane?
The IUPAC name of 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane (CID 142987013) is 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane.
What is the SMILES notation for 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane?
The canonical SMILES for 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane is C/C=C\c1nc(C)oc1C.CC.
What is the InChIKey of 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane?
The InChIKey is IJKPJDLXGFFTBZ-MKWAYWHRSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-4-5-8-6(2)10-7(3)9-8;1-2/h4-5H,1-3H3;1-2H3/b5-4-;.
What are the key properties of 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane?
2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane has a molecular weight of 167.25 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazole;ethane is sourced from PubChem (CID 142987013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).