[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C22H26N4O4 — CID 95226044

IUPAC[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)no1
InChIInChI=1S/C22H26N4O4/c1-28-20-8-2-3-9-21(20)29-16-18-15-19(24-30-18)22(27)26-13-5-4-7-17(26)10-14-25-12-6-11-23-25/h2-3,6,8-9,11-12,15,17H,4-5,7,10,13-14,16H2,1H3/t17-/m0/s1
InChIKeyWUYWMNRTZFANDX-KRWDZBQOSA-N
MW410.47 g/mol
LogP3.54
Rot. Bonds8

About [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 95226044) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID95226044
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)no1
InChIInChI=1S/C22H26N4O4/c1-28-20-8-2-3-9-21(20)29-16-18-15-19(24-30-18)22(27)26-13-5-4-7-17(26)10-14-25-12-6-11-23-25/h2-3,6,8-9,11-12,15,17H,4-5,7,10,13-14,16H2,1H3/t17-/m0/s1
InChIKeyWUYWMNRTZFANDX-KRWDZBQOSA-N
XLogP3.54
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)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

[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 45170984
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796245
[(2S)-2-(2-aminoethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 124514420
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602579
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 24817144
[2-(2-hydroxypropyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 79548607
[2-(bromomethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80659175
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 95226044) is [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is COc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)no1.
What is the InChIKey of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is WUYWMNRTZFANDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-28-20-8-2-3-9-21(20)29-16-18-15-19(24-30-18)22(27)26-13-5-4-7-17(26)10-14-25-12-6-11-23-25/h2-3,6,8-9,11-12,15,17H,4-5,7,10,13-14,16H2,1H3/t17-/m0/s1.
What are the key properties of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 410.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95226044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).