[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

C16H20N2O3 — CID 92734591

IUPAC[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1C1=NO[C@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H20N2O3/c1-20-14-8-4-3-7-12(14)13-11-15(21-17-13)16(19)18-9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-11H2,1H3/t15-/m0/s1
InChIKeyFGWPGFQFDYIKKR-HNNXBMFYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds3

About [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 92734591) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID92734591
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1C1=NO[C@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H20N2O3/c1-20-14-8-4-3-7-12(14)13-11-15(21-17-13)16(19)18-9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-11H2,1H3/t15-/m0/s1
InChIKeyFGWPGFQFDYIKKR-HNNXBMFYSA-N
XLogP2.20
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
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]-morpholin-4-ylmethanone
CID 40638457
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638458
[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 17095718
(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095720
(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
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
azetidin-1-yl-[3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 75484338
(4-benzhydrylpiperazin-1-yl)-[3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 46257572
(5S)-N,N-dibenzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095200
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 92734591) is [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is COc1ccccc1C1=NO[C@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is FGWPGFQFDYIKKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-14-8-4-3-7-12(14)13-11-15(21-17-13)16(19)18-9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-11H2,1H3/t15-/m0/s1.
What are the key properties of [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 288.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92734591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).