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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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198240
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541365
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[3-[(1S)-1-methoxyethyl]phenyl]acetamide
CID 95321877
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 126790370
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968

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).