2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid

C24H25N3O5 — CID 130356484

IUPAC2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid
SMILESCc1cc(NC(=O)C(C(C)C)C(NC(=O)c2ccccc2)(C(=O)O)c2ccccc2)no1
InChIInChI=1S/C24H25N3O5/c1-15(2)20(22(29)25-19-14-16(3)32-27-19)24(23(30)31,18-12-8-5-9-13-18)26-21(28)17-10-6-4-7-11-17/h4-15,20H,1-3H3,(H,26,28)(H,30,31)(H,25,27,29)
InChIKeyVREZGAQJYFFSGM-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.60
Rot. Bonds8

About 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid

2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid (PubChem CID 130356484) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid
PubChem CID130356484
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid
SMILESCc1cc(NC(=O)C(C(C)C)C(NC(=O)c2ccccc2)(C(=O)O)c2ccccc2)no1
InChIInChI=1S/C24H25N3O5/c1-15(2)20(22(29)25-19-14-16(3)32-27-19)24(23(30)31,18-12-8-5-9-13-18)26-21(28)17-10-6-4-7-11-17/h4-15,20H,1-3H3,(H,26,28)(H,30,31)(H,25,27,29)
InChIKeyVREZGAQJYFFSGM-UHFFFAOYSA-N
XLogP3.60
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 41323383
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
CID 118256596
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16571886
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
CID 55450290
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 71669849
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid?
The IUPAC name of 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid (CID 130356484) is 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid.
What is the SMILES notation for 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid?
The canonical SMILES for 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid is Cc1cc(NC(=O)C(C(C)C)C(NC(=O)c2ccccc2)(C(=O)O)c2ccccc2)no1.
What is the InChIKey of 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid?
The InChIKey is VREZGAQJYFFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-15(2)20(22(29)25-19-14-16(3)32-27-19)24(23(30)31,18-12-8-5-9-13-18)26-21(28)17-10-6-4-7-11-17/h4-15,20H,1-3H3,(H,26,28)(H,30,31)(H,25,27,29).
What are the key properties of 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid?
2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid has a molecular weight of 435.48 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-phenylpentanoic acid is sourced from PubChem (CID 130356484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).