5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

C16H14N6O — CID 56913605

IUPAC5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCc1[nH]cnc1-c1nccn1Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C16H14N6O/c1-11-15(20-10-19-11)16-18-5-6-22(16)9-13-7-14(21-23-13)12-3-2-4-17-8-12/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyGJEPKFAEPDALMK-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.68
Rot. Bonds4

About 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (PubChem CID 56913605) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
PubChem CID56913605
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCc1[nH]cnc1-c1nccn1Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C16H14N6O/c1-11-15(20-10-19-11)16-18-5-6-22(16)9-13-7-14(21-23-13)12-3-2-4-17-8-12/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyGJEPKFAEPDALMK-UHFFFAOYSA-N
XLogP2.68
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (CID 56913605) is 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is Cc1[nH]cnc1-c1nccn1Cc1cc(-c2cccnc2)no1.
What is the InChIKey of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is GJEPKFAEPDALMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-11-15(20-10-19-11)16-18-5-6-22(16)9-13-7-14(21-23-13)12-3-2-4-17-8-12/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 306.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 56913605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).