4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide

C34H32N2O5 — CID 10918642

IUPAC4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)cc3c2OC(C)(Cc2cc(C)cc4nc(-c5ccc(OC)cc5)oc24)C3)cc1
InChIInChI=1S/C34H32N2O5/c1-20-14-24(30-28(16-20)36-33(40-30)23-8-12-27(39-5)13-9-23)18-34(3)19-25-15-21(2)17-29(31(25)41-34)35-32(37)22-6-10-26(38-4)11-7-22/h6-17H,18-19H2,1-5H3,(H,35,37)
InChIKeyRSYXZMVCPIVGCI-UHFFFAOYSA-N
MW548.64 g/mol
LogP7.32
Rot. Bonds7

About 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide

4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide (PubChem CID 10918642) has the molecular formula C34H32N2O5 and a molecular weight of 548.64 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide
PubChem CID10918642
Molecular FormulaC34H32N2O5
Molecular Weight548.64 g/mol
Exact Mass548.23
IUPAC Name4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)cc3c2OC(C)(Cc2cc(C)cc4nc(-c5ccc(OC)cc5)oc24)C3)cc1
InChIInChI=1S/C34H32N2O5/c1-20-14-24(30-28(16-20)36-33(40-30)23-8-12-27(39-5)13-9-23)18-34(3)19-25-15-21(2)17-29(31(25)41-34)35-32(37)22-6-10-26(38-4)11-7-22/h6-17H,18-19H2,1-5H3,(H,35,37)
InChIKeyRSYXZMVCPIVGCI-UHFFFAOYSA-N
XLogP7.32
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,5-dimethyl-2-[(5-methyl-2-phenyl-1,3-benzoxazol-7-yl)methyl]-3H-1-benzofuran-7-yl]-4-nitrobenzamide
CID 102594824
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-iodobenzamide
CID 3962920
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
CID 17162820
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 1139375
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1496962
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1048152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide (CID 10918642) is 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide is COc1ccc(C(=O)Nc2cc(C)cc3c2OC(C)(Cc2cc(C)cc4nc(-c5ccc(OC)cc5)oc24)C3)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide?
The InChIKey is RSYXZMVCPIVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O5/c1-20-14-24(30-28(16-20)36-33(40-30)23-8-12-27(39-5)13-9-23)18-34(3)19-25-15-21(2)17-29(31(25)41-34)35-32(37)22-6-10-26(38-4)11-7-22/h6-17H,18-19H2,1-5H3,(H,35,37).
What are the key properties of 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide?
4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide has a molecular weight of 548.64 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methyl]-2,5-dimethyl-3H-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 10918642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).