2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole

C8H11NO — CID 70331634

IUPAC2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1oc(C)nc1C
InChIInChI=1S/C8H11NO/c1-5(2)8-6(3)9-7(4)10-8/h1H2,2-4H3
InChIKeySFRYPKLGTFQLAU-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.32
Rot. Bonds1

About 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole

2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole (PubChem CID 70331634) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole
PubChem CID70331634
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1oc(C)nc1C
InChIInChI=1S/C8H11NO/c1-5(2)8-6(3)9-7(4)10-8/h1H2,2-4H3
InChIKeySFRYPKLGTFQLAU-UHFFFAOYSA-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 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole (CID 70331634) is 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1oc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is SFRYPKLGTFQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5(2)8-6(3)9-7(4)10-8/h1H2,2-4H3.
What are the key properties of 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole?
2,4-dimethyl-5-prop-1-en-2-yl-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 2,4-dimethyl-5-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 70331634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).