1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone

C19H21N5O2 — CID 155796353

IUPAC1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
SMILESCN1CCN(C(=O)Cc2ccccc2)C(c2ncc(-c3cnco3)[nH]2)C1
InChIInChI=1S/C19H21N5O2/c1-23-7-8-24(18(25)9-14-5-3-2-4-6-14)16(12-23)19-21-10-15(22-19)17-11-20-13-26-17/h2-6,10-11,13,16H,7-9,12H2,1H3,(H,21,22)
InChIKeyVPPUHLJPRFPNFN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone

1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone (PubChem CID 155796353) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
PubChem CID155796353
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
SMILESCN1CCN(C(=O)Cc2ccccc2)C(c2ncc(-c3cnco3)[nH]2)C1
InChIInChI=1S/C19H21N5O2/c1-23-7-8-24(18(25)9-14-5-3-2-4-6-14)16(12-23)19-21-10-15(22-19)17-11-20-13-26-17/h2-6,10-11,13,16H,7-9,12H2,1H3,(H,21,22)
InChIKeyVPPUHLJPRFPNFN-UHFFFAOYSA-N
XLogP2.12
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 155796231
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 146132426
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 159985199
2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 70986628
1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[(2R)-2-amino-4-methyl-1H-azet-2-yl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 70986255
2-phenyl-1-[2-[5-[2-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 123692674
[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl] N-methylcarbamate
CID 91329661
2-pyridin-3-yl-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 59166503

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone (CID 155796353) is 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone is CN1CCN(C(=O)Cc2ccccc2)C(c2ncc(-c3cnco3)[nH]2)C1.
What is the InChIKey of 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is VPPUHLJPRFPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-7-8-24(18(25)9-14-5-3-2-4-6-14)16(12-23)19-21-10-15(22-19)17-11-20-13-26-17/h2-6,10-11,13,16H,7-9,12H2,1H3,(H,21,22).
What are the key properties of 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 351.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 155796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).