[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

C19H24N2O3 — CID 29097025

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](C)C2)c1
InChIInChI=1S/C19H24N2O3/c1-13-6-5-9-21(11-13)19(22)16-7-4-8-17(10-16)23-12-18-14(2)20-24-15(18)3/h4,7-8,10,13H,5-6,9,11-12H2,1-3H3/t13-/m1/s1
InChIKeyAWHHPGTUMMTESE-CYBMUJFWSA-N
MW328.41 g/mol
LogP3.74
Rot. Bonds4

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 29097025) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID29097025
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](C)C2)c1
InChIInChI=1S/C19H24N2O3/c1-13-6-5-9-21(11-13)19(22)16-7-4-8-17(10-16)23-12-18-14(2)20-24-15(18)3/h4,7-8,10,13H,5-6,9,11-12H2,1-3H3/t13-/m1/s1
InChIKeyAWHHPGTUMMTESE-CYBMUJFWSA-N
XLogP3.74
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 55956856
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060273
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 125007704
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41323095
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[6-(quinolin-8-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 132767876
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31729088

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 29097025) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](C)C2)c1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is AWHHPGTUMMTESE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-5-9-21(11-13)19(22)16-7-4-8-17(10-16)23-12-18-14(2)20-24-15(18)3/h4,7-8,10,13H,5-6,9,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 29097025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).