2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide

C32H32N2O4 — CID 78046380

IUPAC2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3oc(C(CO)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C32H32N2O4/c1-19-10-12-26(20(2)14-19)32(24-8-6-5-7-9-24)33-30(36)16-23-11-13-28-25(15-23)17-29(37-28)27(18-35)31-21(3)34-38-22(31)4/h5-15,17,27,32,35H,16,18H2,1-4H3,(H,33,36)
InChIKeyOHDNPVKDXRMDIQ-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.23
Rot. Bonds8

About 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide

2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide (PubChem CID 78046380) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
PubChem CID78046380
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3oc(C(CO)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C32H32N2O4/c1-19-10-12-26(20(2)14-19)32(24-8-6-5-7-9-24)33-30(36)16-23-11-13-28-25(15-23)17-29(37-28)27(18-35)31-21(3)34-38-22(31)4/h5-15,17,27,32,35H,16,18H2,1-4H3,(H,33,36)
InChIKeyOHDNPVKDXRMDIQ-UHFFFAOYSA-N
XLogP6.23
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide (CID 78046380) is 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc3oc(C(CO)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?
The InChIKey is OHDNPVKDXRMDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-19-10-12-26(20(2)14-19)32(24-8-6-5-7-9-24)33-30(36)16-23-11-13-28-25(15-23)17-29(37-28)27(18-35)31-21(3)34-38-22(31)4/h5-15,17,27,32,35H,16,18H2,1-4H3,(H,33,36).
What are the key properties of 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide has a molecular weight of 508.62 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 78046380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).