methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate

C24H25N3O5 — CID 42455839

IUPACmethyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCc1nc(-c2ccccc2NC(=O)Cc2ccccc2)oc1C
InChIInChI=1S/C24H25N3O5/c1-16-20(15-25-21(28)12-13-23(30)31-2)27-24(32-16)18-10-6-7-11-19(18)26-22(29)14-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAMLXGRSZXCOPFC-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.40
Rot. Bonds9

About methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate

methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate (PubChem CID 42455839) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
PubChem CID42455839
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namemethyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCc1nc(-c2ccccc2NC(=O)Cc2ccccc2)oc1C
InChIInChI=1S/C24H25N3O5/c1-16-20(15-25-21(28)12-13-23(30)31-2)27-24(32-16)18-10-6-7-11-19(18)26-22(29)14-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAMLXGRSZXCOPFC-UHFFFAOYSA-N
XLogP3.40
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate with MolForge

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Related Compounds

(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
CID 118758671
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 45207389
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 42433589
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 42162249
3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide
CID 26360852
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118755297

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate (CID 42455839) is methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCc1nc(-c2ccccc2NC(=O)Cc2ccccc2)oc1C.
What is the InChIKey of methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate?
The InChIKey is AMLXGRSZXCOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-16-20(15-25-21(28)12-13-23(30)31-2)27-24(32-16)18-10-6-7-11-19(18)26-22(29)14-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate?
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate has a molecular weight of 435.48 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate is sourced from PubChem (CID 42455839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).