4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid

C20H26N2O4 — CID 119253516

IUPAC4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(CC(C)C)C(=O)O)o2)cc1
InChIInChI=1S/C20H26N2O4/c1-13(2)10-16(20(24)25)11-21-18(23)8-9-19-22-12-17(26-19)15-6-4-14(3)5-7-15/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyVWZWSAQQJLMPRI-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.45
Rot. Bonds9

About 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid

4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid (PubChem CID 119253516) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
PubChem CID119253516
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(CC(C)C)C(=O)O)o2)cc1
InChIInChI=1S/C20H26N2O4/c1-13(2)10-16(20(24)25)11-21-18(23)8-9-19-22-12-17(26-19)15-6-4-14(3)5-7-15/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyVWZWSAQQJLMPRI-UHFFFAOYSA-N
XLogP3.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119364024
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119525269
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
CID 51645784
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid (CID 119253516) is 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid is Cc1ccc(-c2cnc(CCC(=O)NCC(CC(C)C)C(=O)O)o2)cc1.
What is the InChIKey of 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid?
The InChIKey is VWZWSAQQJLMPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13(2)10-16(20(24)25)11-21-18(23)8-9-19-22-12-17(26-19)15-6-4-14(3)5-7-15/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid?
4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid has a molecular weight of 358.44 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 119253516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).