N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide

C28H22N2O4 — CID 4282462

IUPACN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1
InChIInChI=1S/C28H22N2O4/c1-32-23-12-9-21(10-13-23)28-30-25-17-22(11-16-26(25)34-28)29-27(31)20-7-14-24(15-8-20)33-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,29,31)
InChIKeyLJVYWKBXADYTAT-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.33
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide (PubChem CID 4282462) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide
PubChem CID4282462
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1
InChIInChI=1S/C28H22N2O4/c1-32-23-12-9-21(10-13-23)28-30-25-17-22(11-16-26(25)34-28)29-27(31)20-7-14-24(15-8-20)33-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,29,31)
InChIKeyLJVYWKBXADYTAT-UHFFFAOYSA-N
XLogP6.33
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide (CID 4282462) is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide is COc1ccc(-c2nc3cc(NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide?
The InChIKey is LJVYWKBXADYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-32-23-12-9-21(10-13-23)28-30-25-17-22(11-16-26(25)34-28)29-27(31)20-7-14-24(15-8-20)33-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,29,31).
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide?
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide has a molecular weight of 450.49 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4282462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).