3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole

C21H24N6O — CID 50948641

IUPAC3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole
SMILESCCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1cc(CC(C)C)on1
InChIInChI=1S/C21H24N6O/c1-4-27-21(22-13-24-27)20-19(16-8-6-5-7-9-16)23-14-26(20)12-17-11-18(28-25-17)10-15(2)3/h5-9,11,13-15H,4,10,12H2,1-3H3
InChIKeyVXIRKOVNPNMDIE-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.06
Rot. Bonds7

About 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole

3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole (PubChem CID 50948641) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole
PubChem CID50948641
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole
SMILESCCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1cc(CC(C)C)on1
InChIInChI=1S/C21H24N6O/c1-4-27-21(22-13-24-27)20-19(16-8-6-5-7-9-16)23-14-26(20)12-17-11-18(28-25-17)10-15(2)3/h5-9,11,13-15H,4,10,12H2,1-3H3
InChIKeyVXIRKOVNPNMDIE-UHFFFAOYSA-N
XLogP4.06
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole with MolForge

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Related Compounds

5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
CID 75590123
1-ethyl-5-[5-phenyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]imidazol-4-yl]-1,2,4-triazole
CID 50951058
5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole
CID 95125155
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
CID 50975770
4,5-diphenyl-1-propylimidazole
CID 14950648
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 154893385
3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
CID 50983448
5-cyclopropyl-3-[[5-(2-methyl-1,3-thiazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 50977488
5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154889805
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole (CID 50948641) is 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole is CCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1cc(CC(C)C)on1.
What is the InChIKey of 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole?
The InChIKey is VXIRKOVNPNMDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-4-27-21(22-13-24-27)20-19(16-8-6-5-7-9-16)23-14-26(20)12-17-11-18(28-25-17)10-15(2)3/h5-9,11,13-15H,4,10,12H2,1-3H3.
What are the key properties of 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole?
3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole has a molecular weight of 376.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 50948641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).