N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide

C23H26N2O3 — CID 119038093

IUPACN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCC1CC(c2ccc3c(c2)CCO3)=NO1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-23(2,18-6-4-3-5-7-18)14-22(26)24-15-19-13-20(25-28-19)16-8-9-21-17(12-16)10-11-27-21/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyDLXTXENQPUFQQK-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.60
Rot. Bonds6

About N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide

N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide (PubChem CID 119038093) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide
PubChem CID119038093
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCC1CC(c2ccc3c(c2)CCO3)=NO1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-23(2,18-6-4-3-5-7-18)14-22(26)24-15-19-13-20(25-28-19)16-8-9-21-17(12-16)10-11-27-21/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyDLXTXENQPUFQQK-UHFFFAOYSA-N
XLogP3.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide (CID 119038093) is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide is CC(C)(CC(=O)NCC1CC(c2ccc3c(c2)CCO3)=NO1)c1ccccc1.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide?
The InChIKey is DLXTXENQPUFQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-23(2,18-6-4-3-5-7-18)14-22(26)24-15-19-13-20(25-28-19)16-8-9-21-17(12-16)10-11-27-21/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide?
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide has a molecular weight of 378.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 119038093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).