2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid

C16H20N2O3 — CID 43619774

IUPAC2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(C)(NCc1ncc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-9-16(2,15(19)20)18-11-14-17-10-13(21-14)12-7-5-4-6-8-12/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,20)
InChIKeyCHWPLHDHDASFKP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.07
Rot. Bonds7

About 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid

2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid (PubChem CID 43619774) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
PubChem CID43619774
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(C)(NCc1ncc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-9-16(2,15(19)20)18-11-14-17-10-13(21-14)12-7-5-4-6-8-12/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,20)
InChIKeyCHWPLHDHDASFKP-UHFFFAOYSA-N
XLogP3.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
2-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62822369
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 71869969
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 96518506
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid (CID 43619774) is 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid is CCCC(C)(NCc1ncc(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The InChIKey is CHWPLHDHDASFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-9-16(2,15(19)20)18-11-14-17-10-13(21-14)12-7-5-4-6-8-12/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43619774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).