4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole

C8H11NO — CID 15176124

IUPAC4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
SMILESC/C=C/c1nc(C)c(C)o1
InChIInChI=1S/C8H11NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H,1-3H3/b5-4+
InChIKeyAJDQKKWMVMDDGA-SNAWJCMRSA-N
MW137.18 g/mol
LogP2.32
Rot. Bonds1

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

4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole (PubChem CID 15176124) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
PubChem CID15176124
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
SMILESC/C=C/c1nc(C)c(C)o1
InChIInChI=1S/C8H11NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H,1-3H3/b5-4+
InChIKeyAJDQKKWMVMDDGA-SNAWJCMRSA-N
XLogP2.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole (CID 15176124) is 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole is C/C=C/c1nc(C)c(C)o1.
What is the InChIKey of 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole?
The InChIKey is AJDQKKWMVMDDGA-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H,1-3H3/b5-4+.
What are the key properties of 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole?
4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole is sourced from PubChem (CID 15176124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).