3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

C23H26N2O5 — CID 16866490

IUPAC3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cc(-c3ccccc3)on2)cc(OCC)c1OCC
InChIInChI=1S/C23H26N2O5/c1-4-27-20-12-17(13-21(28-5-2)22(20)29-6-3)23(26)24-15-18-14-19(30-25-18)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,24,26)
InChIKeyLQUVHSWJASHLCG-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.47
Rot. Bonds10

About 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 16866490) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID16866490
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cc(-c3ccccc3)on2)cc(OCC)c1OCC
InChIInChI=1S/C23H26N2O5/c1-4-27-20-12-17(13-21(28-5-2)22(20)29-6-3)23(26)24-15-18-14-19(30-25-18)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,24,26)
InChIKeyLQUVHSWJASHLCG-UHFFFAOYSA-N
XLogP4.47
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
3,4,5-trimethoxy-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867378
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917080
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
CID 47861587
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide (CID 16866490) is 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide is CCOc1cc(C(=O)NCc2cc(-c3ccccc3)on2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is LQUVHSWJASHLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-4-27-20-12-17(13-21(28-5-2)22(20)29-6-3)23(26)24-15-18-14-19(30-25-18)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,24,26).
What are the key properties of 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 410.47 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 16866490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).