2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide

C26H32N4O4 — CID 42856161

IUPAC2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(C)c(C)c4)co3)CC2)c(OC)c1
InChIInChI=1S/C26H32N4O4/c1-18-5-7-21(13-19(18)2)27-26(31)23-17-34-25(28-23)16-30-11-9-29(10-12-30)15-20-6-8-22(32-3)14-24(20)33-4/h5-8,13-14,17H,9-12,15-16H2,1-4H3,(H,27,31)
InChIKeyJYCYODBTEIMRST-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.88
Rot. Bonds8

About 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide

2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 42856161) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID42856161
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(C)c(C)c4)co3)CC2)c(OC)c1
InChIInChI=1S/C26H32N4O4/c1-18-5-7-21(13-19(18)2)27-26(31)23-17-34-25(28-23)16-30-11-9-29(10-12-30)15-20-6-8-22(32-3)14-24(20)33-4/h5-8,13-14,17H,9-12,15-16H2,1-4H3,(H,27,31)
InChIKeyJYCYODBTEIMRST-UHFFFAOYSA-N
XLogP3.88
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051266
2-[[4-(2-hydroxyhexyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46051889
2-[[4-[3-(diethylamino)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46051890
2-[[4-[(2R)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 92986813
[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42856393
N-(3-methylbutyl)-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051778
N-(3-fluoro-4-methylphenyl)-2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986434
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234
N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857435
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856133
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42858740
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide (CID 42856161) is 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(C)c(C)c4)co3)CC2)c(OC)c1.
What is the InChIKey of 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JYCYODBTEIMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18-5-7-21(13-19(18)2)27-26(31)23-17-34-25(28-23)16-30-11-9-29(10-12-30)15-20-6-8-22(32-3)14-24(20)33-4/h5-8,13-14,17H,9-12,15-16H2,1-4H3,(H,27,31).
What are the key properties of 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).