(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C18H24N2O3 — CID 17095720

IUPAC(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1ccccc1C1=NOC(C(=O)N2C(C)CCCC2C)C1
InChIInChI=1S/C18H24N2O3/c1-12-7-6-8-13(2)20(12)18(21)17-11-15(19-23-17)14-9-4-5-10-16(14)22-3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChIKeyQHSYJSINHKIVML-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 17095720) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID17095720
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1ccccc1C1=NOC(C(=O)N2C(C)CCCC2C)C1
InChIInChI=1S/C18H24N2O3/c1-12-7-6-8-13(2)20(12)18(21)17-11-15(19-23-17)14-9-4-5-10-16(14)22-3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChIKeyQHSYJSINHKIVML-UHFFFAOYSA-N
XLogP2.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 17095718
[(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
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 51409179
(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
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 20869160
[(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

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 17095720) is (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1ccccc1C1=NOC(C(=O)N2C(C)CCCC2C)C1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is QHSYJSINHKIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-7-6-8-13(2)20(12)18(21)17-11-15(19-23-17)14-9-4-5-10-16(14)22-3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 17095720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).