N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide

C28H28FN5O3S — CID 98213561

IUPACN-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4cccs4)n3)cc2)CC1
InChIInChI=1S/C28H28FN5O3S/c1-19(35)30-24(17-22-5-2-3-6-23(22)29)28(36)34-14-12-33(13-15-34)18-20-8-10-21(11-9-20)26-31-27(37-32-26)25-7-4-16-38-25/h2-11,16,24H,12-15,17-18H2,1H3,(H,30,35)/t24-/m1/s1
InChIKeyFIFGSOFMSYVKBF-XMMPIXPASA-N
MW533.63 g/mol
LogP4.00
Rot. Bonds8

About N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide

N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide (PubChem CID 98213561) has the molecular formula C28H28FN5O3S and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
PubChem CID98213561
Molecular FormulaC28H28FN5O3S
Molecular Weight533.63 g/mol
Exact Mass533.19
IUPAC NameN-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4cccs4)n3)cc2)CC1
InChIInChI=1S/C28H28FN5O3S/c1-19(35)30-24(17-22-5-2-3-6-23(22)29)28(36)34-14-12-33(13-15-34)18-20-8-10-21(11-9-20)26-31-27(37-32-26)25-7-4-16-38-25/h2-11,16,24H,12-15,17-18H2,1H3,(H,30,35)/t24-/m1/s1
InChIKeyFIFGSOFMSYVKBF-XMMPIXPASA-N
XLogP4.00
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
CID 92771591
N-[3-(2-fluorophenyl)-1-oxo-1-[4-[[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
CID 46099926
N-[(2S)-3-(2-fluorophenyl)-1-oxo-1-[4-[[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
CID 98213562
N-[3-(2-fluorophenyl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]acetamide
CID 5176463
2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide
CID 166378941
2-(4-chlorophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 24609995
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
CID 47054237
(2R)-2-amino-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839831
2-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 46533225
N-[2-oxo-1-phenyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 51113226
2-(2-chlorophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 46581611
2-(4-methylphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 24609977

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide (CID 98213561) is N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide is CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4cccs4)n3)cc2)CC1.
What is the InChIKey of N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide?
The InChIKey is FIFGSOFMSYVKBF-XMMPIXPASA-N. The full InChI is InChI=1S/C28H28FN5O3S/c1-19(35)30-24(17-22-5-2-3-6-23(22)29)28(36)34-14-12-33(13-15-34)18-20-8-10-21(11-9-20)26-31-27(37-32-26)25-7-4-16-38-25/h2-11,16,24H,12-15,17-18H2,1H3,(H,30,35)/t24-/m1/s1.
What are the key properties of N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide?
N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide has a molecular weight of 533.63 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 98213561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).