1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

C23H25N3O2 — CID 37334143

IUPAC1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H25N3O2/c1-25-14-15-26(20(17-25)18-8-4-2-5-9-18)23(27)13-12-22-24-16-21(28-22)19-10-6-3-7-11-19/h2-11,16,20H,12-15,17H2,1H3/t20-/m0/s1
InChIKeyFXJCCMCRVAEPQB-FQEVSTJZSA-N
MW375.47 g/mol
LogP3.79
Rot. Bonds5

About 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 37334143) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
PubChem CID37334143
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H25N3O2/c1-25-14-15-26(20(17-25)18-8-4-2-5-9-18)23(27)13-12-22-24-16-21(28-22)19-10-6-3-7-11-19/h2-11,16,20H,12-15,17H2,1H3/t20-/m0/s1
InChIKeyFXJCCMCRVAEPQB-FQEVSTJZSA-N
XLogP3.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-phenylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622779
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 43041691
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793725
4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one
CID 135890605

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (CID 37334143) is 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is FXJCCMCRVAEPQB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25-14-15-26(20(17-25)18-8-4-2-5-9-18)23(27)13-12-22-24-16-21(28-22)19-10-6-3-7-11-19/h2-11,16,20H,12-15,17H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 37334143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).