3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid

C15H18N2O3 — CID 43468509

IUPAC3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
SMILESCC(C)C(NCc1coc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-10(2)13(15(18)19)16-8-12-9-20-14(17-12)11-6-4-3-5-7-11/h3-7,9-10,13,16H,8H2,1-2H3,(H,18,19)
InChIKeyIAVVHTRXXCIVDM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.54
Rot. Bonds6

About 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid

3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid (PubChem CID 43468509) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
PubChem CID43468509
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
SMILESCC(C)C(NCc1coc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-10(2)13(15(18)19)16-8-12-9-20-14(17-12)11-6-4-3-5-7-11/h3-7,9-10,13,16H,8H2,1-2H3,(H,18,19)
InChIKeyIAVVHTRXXCIVDM-UHFFFAOYSA-N
XLogP2.54
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
3-methyl-2-[(4-phenylphenyl)methylamino]butanoic acid
CID 43468629
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
2-[[9-[[(1-carboxy-2-methylpropyl)amino]methyl]-1,10-phenanthrolin-2-yl]methylamino]-3-methylbutanoic acid
CID 15870324
4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43473610
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610
N-(5-methylhexan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 42886686
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid (CID 43468509) is 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid is CC(C)C(NCc1coc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
The InChIKey is IAVVHTRXXCIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)13(15(18)19)16-8-12-9-20-14(17-12)11-6-4-3-5-7-11/h3-7,9-10,13,16H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 43468509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).