3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide

C28H30N2O5 — CID 1497034

IUPAC3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)cc(OCC)c1OCC
InChIInChI=1S/C28H30N2O5/c1-5-18-9-11-19(12-10-18)28-30-22-17-21(13-14-23(22)35-28)29-27(31)20-15-24(32-6-2)26(34-8-4)25(16-20)33-7-3/h9-17H,5-8H2,1-4H3,(H,29,31)
InChIKeyRVGJELVAOBBOLW-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.51
Rot. Bonds10

About 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide

3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 1497034) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID1497034
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)cc(OCC)c1OCC
InChIInChI=1S/C28H30N2O5/c1-5-18-9-11-19(12-10-18)28-30-22-17-21(13-14-23(22)35-28)29-27(31)20-15-24(32-6-2)26(34-8-4)25(16-20)33-7-3/h9-17H,5-8H2,1-4H3,(H,29,31)
InChIKeyRVGJELVAOBBOLW-UHFFFAOYSA-N
XLogP6.51
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23742080
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
4-ethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
CID 1215968
3-bromo-4-ethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 73254674
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
3-bromo-4-ethoxy-N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23989690
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013323
2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 86768124
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
4-ethyl-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17315194

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 1497034) is 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide is CCOc1cc(C(=O)Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is RVGJELVAOBBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-5-18-9-11-19(12-10-18)28-30-22-17-21(13-14-23(22)35-28)29-27(31)20-15-24(32-6-2)26(34-8-4)25(16-20)33-7-3/h9-17H,5-8H2,1-4H3,(H,29,31).
What are the key properties of 3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide?
3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 6.51, 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-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 1497034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).