3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole

C17H21N5O — CID 70736968

IUPAC3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
SMILESCCCCc1ncc(-c2nccn2Cc2cc(C3CC3)on2)[nH]1
InChIInChI=1S/C17H21N5O/c1-2-3-4-16-19-10-14(20-16)17-18-7-8-22(17)11-13-9-15(23-21-13)12-5-6-12/h7-10,12H,2-6,11H2,1H3,(H,19,20)
InChIKeyVSADRXGEGWRTIZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.53
Rot. Bonds7

About 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole

3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole (PubChem CID 70736968) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
PubChem CID70736968
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
SMILESCCCCc1ncc(-c2nccn2Cc2cc(C3CC3)on2)[nH]1
InChIInChI=1S/C17H21N5O/c1-2-3-4-16-19-10-14(20-16)17-18-7-8-22(17)11-13-9-15(23-21-13)12-5-6-12/h7-10,12H,2-6,11H2,1H3,(H,19,20)
InChIKeyVSADRXGEGWRTIZ-UHFFFAOYSA-N
XLogP3.53
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The IUPAC name of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole (CID 70736968) is 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The canonical SMILES for 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole is CCCCc1ncc(-c2nccn2Cc2cc(C3CC3)on2)[nH]1.
What is the InChIKey of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The InChIKey is VSADRXGEGWRTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-3-4-16-19-10-14(20-16)17-18-7-8-22(17)11-13-9-15(23-21-13)12-5-6-12/h7-10,12H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole has a molecular weight of 311.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 70736968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).