methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate

C12H18N2O5 — CID 103958065

IUPACmethyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C12H18N2O5/c1-6(2)10-9(7(3)14-19-10)11(16)13-5-8(15)12(17)18-4/h6,8,15H,5H2,1-4H3,(H,13,16)
InChIKeyVPCDAKFCFOXDAL-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.37
Rot. Bonds5

About methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate (PubChem CID 103958065) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
PubChem CID103958065
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C12H18N2O5/c1-6(2)10-9(7(3)14-19-10)11(16)13-5-8(15)12(17)18-4/h6,8,15H,5H2,1-4H3,(H,13,16)
InChIKeyVPCDAKFCFOXDAL-UHFFFAOYSA-N
XLogP0.37
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-(3-methoxypropyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 45796442
3-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)-1,2-oxazole-4-carboxamide
CID 45796489
3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47116520
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368319
3-ethyl-5-methyl-N-(tetrahydrofuran-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17191160
3-ethyl-5-methyl-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 17217283
3-ethyl-5-methyl-N-[(2S)-pentan-2-yl]-1,2-oxazole-4-carboxamide
CID 25755101
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
N-((1-(2-hydroxyethoxy)cyclopentyl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 131703969
(2S)-8-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 164638170
3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide
CID 103723226

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate (CID 103958065) is methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is VPCDAKFCFOXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-6(2)10-9(7(3)14-19-10)11(16)13-5-8(15)12(17)18-4/h6,8,15H,5H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 270.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103958065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).