3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid

C15H18N2O5 — CID 119228152

IUPAC3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-9(15(19)20)8-17(3)13(18)7-11-10(2)22-14(16-11)12-5-4-6-21-12/h4-6,9H,7-8H2,1-3H3,(H,19,20)
InChIKeyBIEMYNXJZCYWEV-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.96
Rot. Bonds6

About 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid

3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119228152) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119228152
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-9(15(19)20)8-17(3)13(18)7-11-10(2)22-14(16-11)12-5-4-6-21-12/h4-6,9H,7-8H2,1-3H3,(H,19,20)
InChIKeyBIEMYNXJZCYWEV-UHFFFAOYSA-N
XLogP1.96
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid (CID 119228152) is 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid is Cc1oc(-c2ccco2)nc1CC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is BIEMYNXJZCYWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9(15(19)20)8-17(3)13(18)7-11-10(2)22-14(16-11)12-5-4-6-21-12/h4-6,9H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 306.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).