2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

C25H30N2O4 — CID 42288009

IUPAC2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1
InChIInChI=1S/C25H30N2O4/c1-17-22(26-25(31-17)21-12-11-20(29-3)15-24(21)30-4)16-27-13-6-5-10-23(27)18-8-7-9-19(14-18)28-2/h7-9,11-12,14-15,23H,5-6,10,13,16H2,1-4H3/t23-/m0/s1
InChIKeyYWIGEJCLONLBBY-QHCPKHFHSA-N
MW422.53 g/mol
LogP5.40
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42288009) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42288009
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1
InChIInChI=1S/C25H30N2O4/c1-17-22(26-25(31-17)21-12-11-20(29-3)15-24(21)30-4)16-27-13-6-5-10-23(27)18-8-7-9-19(14-18)28-2/h7-9,11-12,14-15,23H,5-6,10,13,16H2,1-4H3/t23-/m0/s1
InChIKeyYWIGEJCLONLBBY-QHCPKHFHSA-N
XLogP5.40
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45203290
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45251385
methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25279437
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42288009) is 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is YWIGEJCLONLBBY-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-22(26-25(31-17)21-12-11-20(29-3)15-24(21)30-4)16-27-13-6-5-10-23(27)18-8-7-9-19(14-18)28-2/h7-9,11-12,14-15,23H,5-6,10,13,16H2,1-4H3/t23-/m0/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 422.53 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42288009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).