N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide

C28H25N3O5 — CID 118758671

IUPACN-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
SMILESCc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(=O)c1ccccc1
InChIInChI=1S/C28H25N3O5/c1-19-24(18-29-27(34)26(33)20-10-4-2-5-11-20)31-28(36-19)22-14-8-9-15-23(22)30-25(32)16-17-35-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3,(H,29,34)(H,30,32)
InChIKeyPXARIXPRZKJYHJ-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.56
Rot. Bonds10

About N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide

N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide (PubChem CID 118758671) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
PubChem CID118758671
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC NameN-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
SMILESCc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(=O)c1ccccc1
InChIInChI=1S/C28H25N3O5/c1-19-24(18-29-27(34)26(33)20-10-4-2-5-11-20)31-28(36-19)22-14-8-9-15-23(22)30-25(32)16-17-35-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3,(H,29,34)(H,30,32)
InChIKeyPXARIXPRZKJYHJ-UHFFFAOYSA-N
XLogP4.56
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 45207389
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118755297
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 42433589
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 26362359
(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-[3-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42165935
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
CID 110641138
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110354976

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide (CID 118758671) is N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide is Cc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide?
The InChIKey is PXARIXPRZKJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-19-24(18-29-27(34)26(33)20-10-4-2-5-11-20)31-28(36-19)22-14-8-9-15-23(22)30-25(32)16-17-35-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3,(H,29,34)(H,30,32).
What are the key properties of N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide?
N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide has a molecular weight of 483.52 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 118758671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).