2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid

C11H18N2O3S — CID 106925415

IUPAC2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid
SMILESCc1nc(SC(C)CC(C)(N)C(=O)O)oc1C
InChIInChI=1S/C11H18N2O3S/c1-6(5-11(4,12)9(14)15)17-10-13-7(2)8(3)16-10/h6H,5,12H2,1-4H3,(H,14,15)
InChIKeyPANWAIALDOQECJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid

2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid (PubChem CID 106925415) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid
PubChem CID106925415
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid
SMILESCc1nc(SC(C)CC(C)(N)C(=O)O)oc1C
InChIInChI=1S/C11H18N2O3S/c1-6(5-11(4,12)9(14)15)17-10-13-7(2)8(3)16-10/h6H,5,12H2,1-4H3,(H,14,15)
InChIKeyPANWAIALDOQECJ-UHFFFAOYSA-N
XLogP1.96
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentanoic acid
CID 64705505
2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanenitrile
CID 106924810
2-amino-4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpentanamide
CID 64709546
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
CID 106926301
2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
CID 64709292
2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanoic acid
CID 107786636
2-amino-2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid
CID 104603933
2-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentanoic acid
CID 64709886
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide
CID 106926315
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 55640345
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylpentanoic acid
CID 64704573

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid (CID 106925415) is 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid is Cc1nc(SC(C)CC(C)(N)C(=O)O)oc1C.
What is the InChIKey of 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid?
The InChIKey is PANWAIALDOQECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-6(5-11(4,12)9(14)15)17-10-13-7(2)8(3)16-10/h6H,5,12H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid?
2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid has a molecular weight of 258.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid is sourced from PubChem (CID 106925415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).