5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole

C14H14N4O — CID 123848512

IUPAC5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole
SMILESCC(c1ccc(Cc2cnco2)nc1)n1ccnc1
InChIInChI=1S/C14H14N4O/c1-11(18-5-4-15-9-18)12-2-3-13(17-7-12)6-14-8-16-10-19-14/h2-5,7-11H,6H2,1H3
InChIKeyRUSWVWJFIGEREJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds4

About 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole

5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole (PubChem CID 123848512) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole
PubChem CID123848512
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole
SMILESCC(c1ccc(Cc2cnco2)nc1)n1ccnc1
InChIInChI=1S/C14H14N4O/c1-11(18-5-4-15-9-18)12-2-3-13(17-7-12)6-14-8-16-10-19-14/h2-5,7-11H,6H2,1H3
InChIKeyRUSWVWJFIGEREJ-UHFFFAOYSA-N
XLogP2.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320
N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide
CID 59921201
1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383
[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine
CID 174861724
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
CID 54769240
5-(4-fluorophenyl)-2-(1-imidazol-1-ylethyl)pyridine
CID 71547906
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
1-[1-(7-fluoro-9H-fluoren-2-yl)ethyl]imidazole
CID 44586865
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
5-(1-imidazol-1-ylpropyl)-2-phenylpyridine
CID 57329941
[2-[4-(1-imidazol-1-ylethyl)-2-nitrophenyl]phenyl]methanamine
CID 67901652
2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine
CID 123395836

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole?
The IUPAC name of 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole (CID 123848512) is 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole?
The canonical SMILES for 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole is CC(c1ccc(Cc2cnco2)nc1)n1ccnc1.
What is the InChIKey of 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole?
The InChIKey is RUSWVWJFIGEREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11(18-5-4-15-9-18)12-2-3-13(17-7-12)6-14-8-16-10-19-14/h2-5,7-11H,6H2,1H3.
What are the key properties of 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole?
5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole has a molecular weight of 254.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole is sourced from PubChem (CID 123848512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).