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

C13H17N3O — CID 167878278

IUPAC2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole
SMILESCC(C)c1ncc(-c2cnc(C3CC3)o2)n1C
InChIInChI=1S/C13H17N3O/c1-8(2)12-14-6-10(16(12)3)11-7-15-13(17-11)9-4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyIGRUNTSDYJYKDO-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.08
Rot. Bonds3

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

2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole (PubChem CID 167878278) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole
PubChem CID167878278
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole
SMILESCC(C)c1ncc(-c2cnc(C3CC3)o2)n1C
InChIInChI=1S/C13H17N3O/c1-8(2)12-14-6-10(16(12)3)11-7-15-13(17-11)9-4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyIGRUNTSDYJYKDO-UHFFFAOYSA-N
XLogP3.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole (CID 167878278) is 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole is CC(C)c1ncc(-c2cnc(C3CC3)o2)n1C.
What is the InChIKey of 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole?
The InChIKey is IGRUNTSDYJYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)12-14-6-10(16(12)3)11-7-15-13(17-11)9-4-5-9/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole?
2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole has a molecular weight of 231.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 167878278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).