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

C22H32N2O4 — CID 42304580

IUPAC2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCCCC1CCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC1
InChIInChI=1S/C22H32N2O4/c1-16-20(15-24-11-9-17(10-12-24)6-5-13-25-2)23-22(28-16)19-14-18(26-3)7-8-21(19)27-4/h7-8,14,17H,5-6,9-13,15H2,1-4H3
InChIKeyBQIGOKVDRLFHOT-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.31
Rot. Bonds9

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

2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42304580) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42304580
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCCCC1CCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC1
InChIInChI=1S/C22H32N2O4/c1-16-20(15-24-11-9-17(10-12-24)6-5-13-25-2)23-22(28-16)19-14-18(26-3)7-8-21(19)27-4/h7-8,14,17H,5-6,9-13,15H2,1-4H3
InChIKeyBQIGOKVDRLFHOT-UHFFFAOYSA-N
XLogP4.31
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carbonitrile
CID 56865325
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
2-(4-methoxy-2,3-dimethylphenyl)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56873656
4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
CID 56744602
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
CID 154893005
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42304580) is 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COCCCC1CCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is BQIGOKVDRLFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-16-20(15-24-11-9-17(10-12-24)6-5-13-25-2)23-22(28-16)19-14-18(26-3)7-8-21(19)27-4/h7-8,14,17H,5-6,9-13,15H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 388.51 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42304580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).