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

C26H24N2O5 — CID 16867498

IUPAC3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3ccc(-c4ccccc4)cc3)on2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O5/c1-30-23-13-20(14-24(31-2)25(23)32-3)26(29)27-16-21-15-22(33-28-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyURKORDPRKSPGER-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.96
Rot. Bonds8

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

3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16867498) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16867498
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3ccc(-c4ccccc4)cc3)on2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O5/c1-30-23-13-20(14-24(31-2)25(23)32-3)26(29)27-16-21-15-22(33-28-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyURKORDPRKSPGER-UHFFFAOYSA-N
XLogP4.96
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866490
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867492
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16867498) is 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1cc(C(=O)NCc2cc(-c3ccc(-c4ccccc4)cc3)on2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is URKORDPRKSPGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-30-23-13-20(14-24(31-2)25(23)32-3)26(29)27-16-21-15-22(33-28-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16867498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).