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

C8H11NO — CID 147391521

IUPAC3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
SMILESC/C=C\c1c(C)noc1C
InChIInChI=1S/C8H11NO/c1-4-5-8-6(2)9-10-7(8)3/h4-5H,1-3H3/b5-4-
InChIKeyDMYPNKJYIDABMY-PLNGDYQASA-N
MW137.18 g/mol
LogP2.32
Rot. Bonds1

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

3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole (PubChem CID 147391521) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
PubChem CID147391521
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
SMILESC/C=C\c1c(C)noc1C
InChIInChI=1S/C8H11NO/c1-4-5-8-6(2)9-10-7(8)3/h4-5H,1-3H3/b5-4-
InChIKeyDMYPNKJYIDABMY-PLNGDYQASA-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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Related Compounds

methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole
CID 144716880
4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
CID 170476060
(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
CID 7063565
(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
CID 60639672
4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
CID 89401907
3,4,5-trimethyl-1,2-oxazole
CID 25375
CID 58004744
CID 58004744
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339803
N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide
CID 68922083
3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole
CID 68920941
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
CID 9118237
3-bromo-5-methyl-1,2-oxazole-4-carbaldehyde
CID 83907270

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole (CID 147391521) is 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole is C/C=C\c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole?
The InChIKey is DMYPNKJYIDABMY-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11NO/c1-4-5-8-6(2)9-10-7(8)3/h4-5H,1-3H3/b5-4-.
What are the key properties of 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole?
3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-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 3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole is sourced from PubChem (CID 147391521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).