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

C22H21N3O — CID 165368446

IUPAC5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCc1nc(-c2ccccc2)cn1C
InChIInChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3
InChIKeyBWZAPJVTJXZJHR-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.84
Rot. Bonds5

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

5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole (PubChem CID 165368446) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
PubChem CID165368446
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCc1nc(-c2ccccc2)cn1C
InChIInChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3
InChIKeyBWZAPJVTJXZJHR-UHFFFAOYSA-N
XLogP4.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
5-(3-Imidazol-1-ylpropylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 2908011
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
2-Benzo[b]furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70691516
2-(4-Fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole
CID 54760511
2-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethyl]-6-pyrrolidin-1-yl-pyridine
CID 72706531
2-[4-(benzyloxy)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
CID 664729
3-(Furan-2-yl)-1-phenylimidazo[1,5-a]pyridine
CID 728608
3-(4-Methoxyphenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1397901
3-(4-{[2-(2,3-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)-2,5-dimethylpyrazine
CID 16187555
2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24790720

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole (CID 165368446) is 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCc1nc(-c2ccccc2)cn1C.
What is the InChIKey of 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole?
The InChIKey is BWZAPJVTJXZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole has a molecular weight of 343.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 165368446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).