2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide

C30H32N2O3 — CID 71493816

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C30H32N2O3/c1-20(2)24-12-14-26(15-13-24)30(25-8-6-5-7-9-25)31-29(33)18-23-10-16-27(17-11-23)34-19-28-21(3)32-35-22(28)4/h5-17,20,30H,18-19H2,1-4H3,(H,31,33)
InChIKeyQRPSWDAQCSDFLJ-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.44
Rot. Bonds9

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 71493816) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID71493816
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C30H32N2O3/c1-20(2)24-12-14-26(15-13-24)30(25-8-6-5-7-9-25)31-29(33)18-23-10-16-27(17-11-23)34-19-28-21(3)32-35-22(28)4/h5-17,20,30H,18-19H2,1-4H3,(H,31,33)
InChIKeyQRPSWDAQCSDFLJ-UHFFFAOYSA-N
XLogP6.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide (CID 71493816) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is QRPSWDAQCSDFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-20(2)24-12-14-26(15-13-24)30(25-8-6-5-7-9-25)31-29(33)18-23-10-16-27(17-11-23)34-19-28-21(3)32-35-22(28)4/h5-17,20,30H,18-19H2,1-4H3,(H,31,33).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 6.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71493816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).