N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide

C22H25N3O6 — CID 46097417

IUPACN-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)noc2-c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C22H25N3O6/c1-13-19(22(26)23-9-8-14-6-7-18(29-4)24-12-14)20(31-25-13)15-10-16(27-2)21(30-5)17(11-15)28-3/h6-7,10-12H,8-9H2,1-5H3,(H,23,26)
InChIKeyITSQXCUQBMOMHZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.05
Rot. Bonds9

About N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide

N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 46097417) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID46097417
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)noc2-c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C22H25N3O6/c1-13-19(22(26)23-9-8-14-6-7-18(29-4)24-12-14)20(31-25-13)15-10-16(27-2)21(30-5)17(11-15)28-3/h6-7,10-12H,8-9H2,1-5H3,(H,23,26)
InChIKeyITSQXCUQBMOMHZ-UHFFFAOYSA-N
XLogP3.05
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097261
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46096909
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110677065
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (CID 46097417) is N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2c(C)noc2-c2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ITSQXCUQBMOMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-13-19(22(26)23-9-8-14-6-7-18(29-4)24-12-14)20(31-25-13)15-10-16(27-2)21(30-5)17(11-15)28-3/h6-7,10-12H,8-9H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).