N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide

C25H23N3O3S — CID 42245990

IUPACN-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1cccs1
InChIInChI=1S/C25H23N3O3S/c1-17-22(16-26-23(29)15-21-8-5-13-32-21)28-25(31-17)19-9-11-20(12-10-19)27-24(30)14-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyVEXUBVWWOCMEMI-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.75
Rot. Bonds8

About N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide

N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide (PubChem CID 42245990) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
PubChem CID42245990
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1cccs1
InChIInChI=1S/C25H23N3O3S/c1-17-22(16-26-23(29)15-21-8-5-13-32-21)28-25(31-17)19-9-11-20(12-10-19)27-24(30)14-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyVEXUBVWWOCMEMI-UHFFFAOYSA-N
XLogP4.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide with MolForge

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Related Compounds

N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42467503
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45195114
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110642555
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 803977
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide (CID 42245990) is N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide is Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1cccs1.
What is the InChIKey of N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The InChIKey is VEXUBVWWOCMEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-17-22(16-26-23(29)15-21-8-5-13-32-21)28-25(31-17)19-9-11-20(12-10-19)27-24(30)14-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 445.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42245990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).