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

C17H22N2O3 — CID 17095718

IUPAC[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1C1=NOC(C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(20)16-11-14(18-22-16)13-5-3-4-6-15(13)21-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyZBKRCOPHRDQWNZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.45
Rot. Bonds3

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

[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 17095718) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID17095718
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1C1=NOC(C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(20)16-11-14(18-22-16)13-5-3-4-6-15(13)21-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyZBKRCOPHRDQWNZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
[(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
(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095720
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 40503563
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 20869160
[3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 46257569
[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 124843037
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 29097799
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
(4-benzhydrylpiperazin-1-yl)-[3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 46257572

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 17095718) is [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccccc1C1=NOC(C(=O)N2CCC(C)CC2)C1.
What is the InChIKey of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZBKRCOPHRDQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(20)16-11-14(18-22-16)13-5-3-4-6-15(13)21-2/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 302.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 17095718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).