5-Cyclopropyl-3,4-dimethyl-1,2-oxazole

C8H11NO — CID 18735155

IUPAC5-cyclopropyl-3,4-dimethyl-1,2-oxazole
SMILESCC1=C(ON=C1C)C2CC2
InChIInChI=1S/C8H11NO/c1-5-6(2)9-10-8(5)7-3-4-7/h7H,3-4H2,1-2H3
InChIKeyNLZJIIDNISPBNJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.70
Rot. Bonds1

About 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole

5-Cyclopropyl-3,4-dimethyl-1,2-oxazole (PubChem CID 18735155) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-cyclopropyl-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-Cyclopropyl-3,4-dimethyl-1,2-oxazole
PubChem CID18735155
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-cyclopropyl-3,4-dimethyl-1,2-oxazole
SMILESCC1=C(ON=C1C)C2CC2
InChIInChI=1S/C8H11NO/c1-5-6(2)9-10-8(5)7-3-4-7/h7H,3-4H2,1-2H3
InChIKeyNLZJIIDNISPBNJ-UHFFFAOYSA-N
XLogP1.70
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
2-(Dimethyl-1,2-oxazol-4-yl)acetonitrile
CID 13792858
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
CID 134153821
4-Isoxazolemethanamine, 3,5-diethyl-
CID 71755768
Cyclooct[d]isoxazole, 4,5,8,9-tetrahydro-3-methyl-
CID 4393047
4-(Bromomethyl)-3,5-dimethyl-1,2-oxazole
CID 12793289
5-Ethyl-3-methyl-1,2-oxazole-4-carbaldehyde
CID 13181320
3-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 16394817
4-(Chloromethyl)-3-ethyl-5-methyl-1,2-oxazole
CID 24973884
5-Cyclopropyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 28275750
4-(Bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole
CID 59739541

Frequently Asked Questions

What is the IUPAC name of 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole (CID 18735155) is 5-cyclopropyl-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole is CC1=C(ON=C1C)C2CC2.
What is the InChIKey of 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole?
The InChIKey is NLZJIIDNISPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-6(2)9-10-8(5)7-3-4-7/h7H,3-4H2,1-2H3.
What are the key properties of 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole?
5-Cyclopropyl-3,4-dimethyl-1,2-oxazole has a molecular weight of 137.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Cyclopropyl-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 18735155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).