methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate

C20H26N2O5 — CID 25279437

IUPACmethyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2OC)oc1C
InChIInChI=1S/C20H26N2O5/c1-13-16(12-22-10-6-5-7-17(22)20(23)26-4)21-19(27-13)15-9-8-14(24-2)11-18(15)25-3/h8-9,11,17H,5-7,10,12H2,1-4H3/t17-/m0/s1
InChIKeyBUSIGJXNLYOYTQ-KRWDZBQOSA-N
MW374.44 g/mol
LogP3.19
Rot. Bonds6

About methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate

methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate (PubChem CID 25279437) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
PubChem CID25279437
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namemethyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2OC)oc1C
InChIInChI=1S/C20H26N2O5/c1-13-16(12-22-10-6-5-7-17(22)20(23)26-4)21-19(27-13)15-9-8-14(24-2)11-18(15)25-3/h8-9,11,17H,5-7,10,12H2,1-4H3/t17-/m0/s1
InChIKeyBUSIGJXNLYOYTQ-KRWDZBQOSA-N
XLogP3.19
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate with MolForge

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Related Compounds

2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
N-[3-(azepan-1-yl)propyl]-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 45280539
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate (CID 25279437) is methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2OC)oc1C.
What is the InChIKey of methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate?
The InChIKey is BUSIGJXNLYOYTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13-16(12-22-10-6-5-7-17(22)20(23)26-4)21-19(27-13)15-9-8-14(24-2)11-18(15)25-3/h8-9,11,17H,5-7,10,12H2,1-4H3/t17-/m0/s1.
What are the key properties of methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate?
methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 25279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).