2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone

C21H17N3O2 — CID 158872893

IUPAC2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone
SMILESCc1cccc(-c2ncc(-c3ccc(CC(=O)c4cocn4)cc3)[nH]2)c1
InChIInChI=1S/C21H17N3O2/c1-14-3-2-4-17(9-14)21-22-11-18(24-21)16-7-5-15(6-8-16)10-20(25)19-12-26-13-23-19/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyMMXSPIRVWZKXCX-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone

2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone (PubChem CID 158872893) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone
PubChem CID158872893
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone
SMILESCc1cccc(-c2ncc(-c3ccc(CC(=O)c4cocn4)cc3)[nH]2)c1
InChIInChI=1S/C21H17N3O2/c1-14-3-2-4-17(9-14)21-22-11-18(24-21)16-7-5-15(6-8-16)10-20(25)19-12-26-13-23-19/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyMMXSPIRVWZKXCX-UHFFFAOYSA-N
XLogP4.47
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone (CID 158872893) is 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone is Cc1cccc(-c2ncc(-c3ccc(CC(=O)c4cocn4)cc3)[nH]2)c1.
What is the InChIKey of 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone?
The InChIKey is MMXSPIRVWZKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-3-2-4-17(9-14)21-22-11-18(24-21)16-7-5-15(6-8-16)10-20(25)19-12-26-13-23-19/h2-9,11-13H,10H2,1H3,(H,22,24).
What are the key properties of 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone?
2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone has a molecular weight of 343.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 158872893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).