N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide

C26H32N4O5 — CID 46364569

IUPACN-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)c(C)o2)cc1
InChIInChI=1S/C26H32N4O5/c1-5-34-20-8-6-19(7-9-20)25-27-23(18(2)35-25)17-29-12-14-30(15-13-29)26(31)28-22-16-21(32-3)10-11-24(22)33-4/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,31)
InChIKeyQFVBAEAVTDBDMC-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.42
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 46364569) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
PubChem CID46364569
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC NameN-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)c(C)o2)cc1
InChIInChI=1S/C26H32N4O5/c1-5-34-20-8-6-19(7-9-20)25-27-23(18(2)35-25)17-29-12-14-30(15-13-29)26(31)28-22-16-21(32-3)10-11-24(22)33-4/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,31)
InChIKeyQFVBAEAVTDBDMC-UHFFFAOYSA-N
XLogP4.42
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160
[4-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 25453062
(3,5-dimethoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55598801
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955645

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide (CID 46364569) is N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide is CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)c(C)o2)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The InChIKey is QFVBAEAVTDBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-5-34-20-8-6-19(7-9-20)25-27-23(18(2)35-25)17-29-12-14-30(15-13-29)26(31)28-22-16-21(32-3)10-11-24(22)33-4/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,31).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 46364569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).