1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C21H26FN3O3 — CID 134021740

IUPAC1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H26FN3O3/c1-21(2,3)20(27)25-12-10-24(11-13-25)19(26)9-8-18-23-14-17(28-18)15-6-4-5-7-16(15)22/h4-7,14H,8-13H2,1-3H3
InChIKeyCFGBCMJTIWOURR-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134021740) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134021740
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H26FN3O3/c1-21(2,3)20(27)25-12-10-24(11-13-25)19(26)9-8-18-23-14-17(28-18)15-6-4-5-7-16(15)22/h4-7,14H,8-13H2,1-3H3
InChIKeyCFGBCMJTIWOURR-UHFFFAOYSA-N
XLogP3.13
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 24595519
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
CID 166305757
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120656321
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134040089
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 119248343
(3,3-dimethyl-2-oxobutyl) 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509093
3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
CID 124701703
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 134051824

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 134021740) is 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CFGBCMJTIWOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-21(2,3)20(27)25-12-10-24(11-13-25)19(26)9-8-18-23-14-17(28-18)15-6-4-5-7-16(15)22/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 387.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134021740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).