2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid

C64H82N6O18 — CID 161037097

IUPAC2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)C[C@@H](C)c1nc(C(=O)O)co1.CC(C)C[C@H](C)c1nc(C(=O)O)co1.CCC[C@@H](C)c1nc(C(=O)O)co1.CCC[C@H](C)c1nc(C(=O)O)co1.C[C@@H](Cc1ccccc1)c1nc(C(=O)O)co1.C[C@H](Cc1ccccc1)c1nc(C(=O)O)co1
InChIInChI=1S/2C13H13NO3.2C10H15NO3.2C9H13NO3/c2*1-9(7-10-5-3-2-4-6-10)12-14-11(8-17-12)13(15)16;2*1-6(2)4-7(3)9-11-8(5-14-9)10(12)13;2*1-3-4-6(2)8-10-7(5-13-8)9(11)12/h2*2-6,8-9H,7H2,1H3,(H,15,16);2*5-7H,4H2,1-3H3,(H,12,13);2*5-6H,3-4H2,1-2H3,(H,11,12)/t2*9-;2*7-;2*6-/m101010/s1
InChIKeyUAJWEVGGTNLDBE-LMZVOINISA-N
MW1223.38 g/mol
LogP15.04
Rot. Bonds24

About 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid

2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 161037097) has the molecular formula C64H82N6O18 and a molecular weight of 1223.38 g/mol. Its IUPAC name is 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID161037097
Molecular FormulaC64H82N6O18
Molecular Weight1223.38 g/mol
Exact Mass1222.57
IUPAC Name2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)C[C@@H](C)c1nc(C(=O)O)co1.CC(C)C[C@H](C)c1nc(C(=O)O)co1.CCC[C@@H](C)c1nc(C(=O)O)co1.CCC[C@H](C)c1nc(C(=O)O)co1.C[C@@H](Cc1ccccc1)c1nc(C(=O)O)co1.C[C@H](Cc1ccccc1)c1nc(C(=O)O)co1
InChIInChI=1S/2C13H13NO3.2C10H15NO3.2C9H13NO3/c2*1-9(7-10-5-3-2-4-6-10)12-14-11(8-17-12)13(15)16;2*1-6(2)4-7(3)9-11-8(5-14-9)10(12)13;2*1-3-4-6(2)8-10-7(5-13-8)9(11)12/h2*2-6,8-9H,7H2,1H3,(H,15,16);2*5-7H,4H2,1-3H3,(H,12,13);2*5-6H,3-4H2,1-2H3,(H,11,12)/t2*9-;2*7-;2*6-/m101010/s1
InChIKeyUAJWEVGGTNLDBE-LMZVOINISA-N
XLogP15.04
TPSA379.98 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001223.38
LogP ≤ 515.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 161037098
2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 162015662
methyl 3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate;2-pentan-2-yl-1,3-oxazole-4-carboxylic acid
CID 123966453
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
4-methyl-2-pentan-2-yl-1,3-oxazole
CID 145099076
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
CID 69118596
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249
2-benzyl-4-methylheptanoic acid
CID 62266775
2-benzyl-4-methylpentanoic acid
CID 15416243

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid (CID 161037097) is 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid is CC(C)C[C@@H](C)c1nc(C(=O)O)co1.CC(C)C[C@H](C)c1nc(C(=O)O)co1.CCC[C@@H](C)c1nc(C(=O)O)co1.CCC[C@H](C)c1nc(C(=O)O)co1.C[C@@H](Cc1ccccc1)c1nc(C(=O)O)co1.C[C@H](Cc1ccccc1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is UAJWEVGGTNLDBE-LMZVOINISA-N. The full InChI is InChI=1S/2C13H13NO3.2C10H15NO3.2C9H13NO3/c2*1-9(7-10-5-3-2-4-6-10)12-14-11(8-17-12)13(15)16;2*1-6(2)4-7(3)9-11-8(5-14-9)10(12)13;2*1-3-4-6(2)8-10-7(5-13-8)9(11)12/h2*2-6,8-9H,7H2,1H3,(H,15,16);2*5-7H,4H2,1-3H3,(H,12,13);2*5-6H,3-4H2,1-2H3,(H,11,12)/t2*9-;2*7-;2*6-/m101010/s1.
What are the key properties of 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid?
2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 1223.38 g/mol, XLogP of 15.04, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-4-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-1-phenylpropan-2-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 161037097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).