5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole

C11H13N3O — CID 142624791

IUPAC5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole
SMILESCc1noc(C2CC2)c1-c1cn(C)cn1
InChIInChI=1S/C11H13N3O/c1-7-10(9-5-14(2)6-12-9)11(15-13-7)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyCXCIKTYNGVYEAJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.26
Rot. Bonds2

About 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole

5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole (PubChem CID 142624791) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole
PubChem CID142624791
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole
SMILESCc1noc(C2CC2)c1-c1cn(C)cn1
InChIInChI=1S/C11H13N3O/c1-7-10(9-5-14(2)6-12-9)11(15-13-7)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyCXCIKTYNGVYEAJ-UHFFFAOYSA-N
XLogP2.26
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole (CID 142624791) is 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole is Cc1noc(C2CC2)c1-c1cn(C)cn1.
What is the InChIKey of 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole?
The InChIKey is CXCIKTYNGVYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-10(9-5-14(2)6-12-9)11(15-13-7)8-3-4-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole?
5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-4-(1-methylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 142624791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).