(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C21H26N2O5 — CID 33266272

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1
InChIInChI=1S/C21H26N2O5/c1-6-16-19(13(2)28-22-16)21(24)23-9-7-14(8-10-23)20-17(26-4)11-15(25-3)12-18(20)27-5/h7,11-12H,6,8-10H2,1-5H3
InChIKeyDKGBXQQXXNSZNT-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.50
Rot. Bonds6

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 33266272) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID33266272
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1
InChIInChI=1S/C21H26N2O5/c1-6-16-19(13(2)28-22-16)21(24)23-9-7-14(8-10-23)20-17(26-4)11-15(25-3)12-18(20)27-5/h7,11-12H,6,8-10H2,1-5H3
InChIKeyDKGBXQQXXNSZNT-UHFFFAOYSA-N
XLogP3.50
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
(2-chlorocyclohexen-1-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71899480
(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264956
(7-methoxy-2-methylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281291
(2,6-dimethylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24572845
(E)-3-(3,5-dimethoxyphenyl)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 24583945
(3-hydroxynaphthalen-2-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280880
quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280881
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 46421317
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
CID 42281123

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 33266272) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is DKGBXQQXXNSZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-6-16-19(13(2)28-22-16)21(24)23-9-7-14(8-10-23)20-17(26-4)11-15(25-3)12-18(20)27-5/h7,11-12H,6,8-10H2,1-5H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 386.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 33266272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).