N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide

C20H24N4O5 — CID 25058212

IUPACN-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2noc(C)c2C(=O)NCCCn2ccnc2)cc(OC)c1OC
InChIInChI=1S/C20H24N4O5/c1-13-17(20(25)22-6-5-8-24-9-7-21-12-24)18(23-29-13)14-10-15(26-2)19(28-4)16(11-14)27-3/h7,9-12H,5-6,8H2,1-4H3,(H,22,25)
InChIKeyWBBFBRTZNAZNLB-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.69
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 25058212) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID25058212
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2noc(C)c2C(=O)NCCCn2ccnc2)cc(OC)c1OC
InChIInChI=1S/C20H24N4O5/c1-13-17(20(25)22-6-5-8-24-9-7-21-12-24)18(23-29-13)14-10-15(26-2)19(28-4)16(11-14)27-3/h7,9-12H,5-6,8H2,1-4H3,(H,22,25)
InChIKeyWBBFBRTZNAZNLB-UHFFFAOYSA-N
XLogP2.69
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (CID 25058212) is N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is COc1cc(-c2noc(C)c2C(=O)NCCCn2ccnc2)cc(OC)c1OC.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WBBFBRTZNAZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-13-17(20(25)22-6-5-8-24-9-7-21-12-24)18(23-29-13)14-10-15(26-2)19(28-4)16(11-14)27-3/h7,9-12H,5-6,8H2,1-4H3,(H,22,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25058212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).