5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C19H17N5O — CID 56863914

IUPAC5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(c1ccccc1)c1nccn1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H17N5O/c1-14(15-6-3-2-4-7-15)19-21-10-11-24(19)13-17-22-18(23-25-17)16-8-5-9-20-12-16/h2-12,14H,13H2,1H3
InChIKeyBTMBFXZSOPWNEA-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.53
Rot. Bonds5

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

5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 56863914) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID56863914
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(c1ccccc1)c1nccn1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H17N5O/c1-14(15-6-3-2-4-7-15)19-21-10-11-24(19)13-17-22-18(23-25-17)16-8-5-9-20-12-16/h2-12,14H,13H2,1H3
InChIKeyBTMBFXZSOPWNEA-UHFFFAOYSA-N
XLogP3.53
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 95455784
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
2-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]pyridine
CID 95192246
(2R)-1-phenoxy-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 95147172
(2S,3R)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351937
(2R,3S)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351940
2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82688928
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 56863914) is 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CC(c1ccccc1)c1nccn1Cc1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is BTMBFXZSOPWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-14(15-6-3-2-4-7-15)19-21-10-11-24(19)13-17-22-18(23-25-17)16-8-5-9-20-12-16/h2-12,14H,13H2,1H3.
What are the key properties of 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56863914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).