N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide

C19H26N2O5 — CID 47861587

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2c(C)noc2C)cc(OCC)c1OCC
InChIInChI=1S/C19H26N2O5/c1-6-23-16-9-14(10-17(24-7-2)18(16)25-8-3)19(22)20-11-15-12(4)21-26-13(15)5/h9-10H,6-8,11H2,1-5H3,(H,20,22)
InChIKeyKATFLPWJCYLWDB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.42
Rot. Bonds9

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide (PubChem CID 47861587) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
PubChem CID47861587
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2c(C)noc2C)cc(OCC)c1OCC
InChIInChI=1S/C19H26N2O5/c1-6-23-16-9-14(10-17(24-7-2)18(16)25-8-3)19(22)20-11-15-12(4)21-26-13(15)5/h9-10H,6-8,11H2,1-5H3,(H,20,22)
InChIKeyKATFLPWJCYLWDB-UHFFFAOYSA-N
XLogP3.42
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
CID 78918282
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866490
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 78916943
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide (CID 47861587) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCc2c(C)noc2C)cc(OCC)c1OCC.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide?
The InChIKey is KATFLPWJCYLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-6-23-16-9-14(10-17(24-7-2)18(16)25-8-3)19(22)20-11-15-12(4)21-26-13(15)5/h9-10H,6-8,11H2,1-5H3,(H,20,22).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 47861587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).