(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone

C22H28FN3O3 — CID 90616875

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C22H28FN3O3/c1-15-21(16(2)29-24-15)22(27)26-11-7-17(8-12-26)25-13-9-18(10-14-25)28-20-6-4-3-5-19(20)23/h3-6,17-18H,7-14H2,1-2H3
InChIKeySSJNPBBSJPGSCM-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.58
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90616875) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID90616875
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C22H28FN3O3/c1-15-21(16(2)29-24-15)22(27)26-11-7-17(8-12-26)25-13-9-18(10-14-25)28-20-6-4-3-5-19(20)23/h3-6,17-18H,7-14H2,1-2H3
InChIKeySSJNPBBSJPGSCM-UHFFFAOYSA-N
XLogP3.58
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90616897
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
CID 90616960
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 52726149
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 91811549
1-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110252795
1-[(2S)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92632425
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 90616823

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90616875) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is SSJNPBBSJPGSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-15-21(16(2)29-24-15)22(27)26-11-7-17(8-12-26)25-13-9-18(10-14-25)28-20-6-4-3-5-19(20)23/h3-6,17-18H,7-14H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 401.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90616875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).