4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide

C23H21N3O5 — CID 24800777

IUPAC4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
SMILESCOc1cc(Nc2nc3cccc(-c4ccc(C(N)=O)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5/c1-28-18-11-15(12-19(29-2)21(18)30-3)25-23-26-17-6-4-5-16(20(17)31-23)13-7-9-14(10-8-13)22(24)27/h4-12H,1-3H3,(H2,24,27)(H,25,26)
InChIKeyRPLKUFKLZRTRTQ-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.36
Rot. Bonds7

About 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide

4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide (PubChem CID 24800777) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
PubChem CID24800777
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
SMILESCOc1cc(Nc2nc3cccc(-c4ccc(C(N)=O)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5/c1-28-18-11-15(12-19(29-2)21(18)30-3)25-23-26-17-6-4-5-16(20(17)31-23)13-7-9-14(10-8-13)22(24)27/h4-12H,1-3H3,(H2,24,27)(H,25,26)
InChIKeyRPLKUFKLZRTRTQ-UHFFFAOYSA-N
XLogP4.36
TPSA108.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
CID 24801814
7-(4-aminophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800772
7-(4-methylsulfonylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800947
7-(3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24801815
7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24801650
3-[2-(3-methoxy-4-piperazin-1-ylanilino)-1,3-benzoxazol-7-yl]benzamide
CID 171348432
4-[2-(3-methoxy-4-methylanilino)-1,3-benzoxazol-7-yl]-N-methylbenzenesulfonamide
CID 59144224
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 66779357
4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
CID 3043892
methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide?
The IUPAC name of 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide (CID 24800777) is 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide.
What is the SMILES notation for 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide?
The canonical SMILES for 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide is COc1cc(Nc2nc3cccc(-c4ccc(C(N)=O)cc4)c3o2)cc(OC)c1OC.
What is the InChIKey of 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide?
The InChIKey is RPLKUFKLZRTRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-28-18-11-15(12-19(29-2)21(18)30-3)25-23-26-17-6-4-5-16(20(17)31-23)13-7-9-14(10-8-13)22(24)27/h4-12H,1-3H3,(H2,24,27)(H,25,26).
What are the key properties of 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide?
4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide has a molecular weight of 419.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide is sourced from PubChem (CID 24800777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).