[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone

C17H22N2O3 — CID 124843037

IUPAC[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)[C@H]2CC(C)=NO2)CC1
InChIInChI=1S/C17H22N2O3/c1-12-11-16(22-18-12)17(20)19-9-7-13(8-10-19)14-5-3-4-6-15(14)21-2/h3-6,13,16H,7-11H2,1-2H3/t16-/m1/s1
InChIKeyDAYRLFVTBUZWIE-MRXNPFEDSA-N
MW302.37 g/mol
LogP2.57
Rot. Bonds3

About [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone

[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 124843037) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID124843037
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)[C@H]2CC(C)=NO2)CC1
InChIInChI=1S/C17H22N2O3/c1-12-11-16(22-18-12)17(20)19-9-7-13(8-10-19)14-5-3-4-6-15(14)21-2/h3-6,13,16H,7-11H2,1-2H3/t16-/m1/s1
InChIKeyDAYRLFVTBUZWIE-MRXNPFEDSA-N
XLogP2.57
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-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-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 17095718
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 95228912
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638458
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638457
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 124843037) is [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1ccccc1C1CCN(C(=O)[C@H]2CC(C)=NO2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is DAYRLFVTBUZWIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-11-16(22-18-12)17(20)19-9-7-13(8-10-19)14-5-3-4-6-15(14)21-2/h3-6,13,16H,7-11H2,1-2H3/t16-/m1/s1.
What are the key properties of [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 302.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 124843037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).