[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

C21H28FN3O2 — CID 110608660

IUPAC[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C21H28FN3O2/c1-15(2)20-19(16(3)23-27-20)21(26)25-12-10-24(11-13-25)9-5-7-17-6-4-8-18(22)14-17/h4,6,8,14-15H,5,7,9-13H2,1-3H3
InChIKeyUXLIBAHENQWMHP-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.64
Rot. Bonds6

About [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 110608660) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID110608660
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C21H28FN3O2/c1-15(2)20-19(16(3)23-27-20)21(26)25-12-10-24(11-13-25)9-5-7-17-6-4-8-18(22)14-17/h4,6,8,14-15H,5,7,9-13H2,1-3H3
InChIKeyUXLIBAHENQWMHP-UHFFFAOYSA-N
XLogP3.64
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone 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

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9156672
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
CID 110608661
N-(4-fluorophenyl)-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazine-1-carboxamide
CID 37443505
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9225909
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110608671
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110602349
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 26261127
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131681549
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 9273169
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413563

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 110608660) is [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CCN(CCCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is UXLIBAHENQWMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-15(2)20-19(16(3)23-27-20)21(26)25-12-10-24(11-13-25)9-5-7-17-6-4-8-18(22)14-17/h4,6,8,14-15H,5,7,9-13H2,1-3H3.
What are the key properties of [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 373.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 110608660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).