4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole

C18H25N5O — CID 56897717

IUPAC4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole
SMILESCCCCc1ncc(-c2nccn2CCCc2c(C)noc2C)[nH]1
InChIInChI=1S/C18H25N5O/c1-4-5-8-17-20-12-16(21-17)18-19-9-11-23(18)10-6-7-15-13(2)22-24-14(15)3/h9,11-12H,4-8,10H2,1-3H3,(H,20,21)
InChIKeyLQQMJPJZHBDLEA-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.85
Rot. Bonds8

About 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole

4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 56897717) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole
PubChem CID56897717
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole
SMILESCCCCc1ncc(-c2nccn2CCCc2c(C)noc2C)[nH]1
InChIInChI=1S/C18H25N5O/c1-4-5-8-17-20-12-16(21-17)18-19-9-11-23(18)10-6-7-15-13(2)22-24-14(15)3/h9,11-12H,4-8,10H2,1-3H3,(H,20,21)
InChIKeyLQQMJPJZHBDLEA-UHFFFAOYSA-N
XLogP3.85
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole (CID 56897717) is 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole is CCCCc1ncc(-c2nccn2CCCc2c(C)noc2C)[nH]1.
What is the InChIKey of 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is LQQMJPJZHBDLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-5-8-17-20-12-16(21-17)18-19-9-11-23(18)10-6-7-15-13(2)22-24-14(15)3/h9,11-12H,4-8,10H2,1-3H3,(H,20,21).
What are the key properties of 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole?
4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 327.43 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 56897717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).