2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid

C15H20N4O6 — CID 134255543

IUPAC2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid
SMILESCC(C)C(NC(=O)NC(C(=O)O)C(C)O)c1nnc(-c2ccco2)o1
InChIInChI=1S/C15H20N4O6/c1-7(2)10(16-15(23)17-11(8(3)20)14(21)22)13-19-18-12(25-13)9-5-4-6-24-9/h4-8,10-11,20H,1-3H3,(H,21,22)(H2,16,17,23)
InChIKeyVJEQQLZRJDNNPL-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.16
Rot. Bonds7

About 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid

2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 134255543) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid
PubChem CID134255543
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Name2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid
SMILESCC(C)C(NC(=O)NC(C(=O)O)C(C)O)c1nnc(-c2ccco2)o1
InChIInChI=1S/C15H20N4O6/c1-7(2)10(16-15(23)17-11(8(3)20)14(21)22)13-19-18-12(25-13)9-5-4-6-24-9/h4-8,10-11,20H,1-3H3,(H,21,22)(H2,16,17,23)
InChIKeyVJEQQLZRJDNNPL-UHFFFAOYSA-N
XLogP1.16
TPSA150.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468410
(2S,3R)-3-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 104965687
2-[[(1S)-3-amino-1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 134255531
(2S)-2-[[(1S)-3-amino-1-[5-(1,2,4-oxadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 122542136
(2S)-2-[[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]carbamoylamino]-3-hydroxybutanoic acid
CID 122542131
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575738
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7374115
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
CID 43631812
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7376830
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 82020897
2-[(4-acetamidophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61181993

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid (CID 134255543) is 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid is CC(C)C(NC(=O)NC(C(=O)O)C(C)O)c1nnc(-c2ccco2)o1.
What is the InChIKey of 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is VJEQQLZRJDNNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6/c1-7(2)10(16-15(23)17-11(8(3)20)14(21)22)13-19-18-12(25-13)9-5-4-6-24-9/h4-8,10-11,20H,1-3H3,(H,21,22)(H2,16,17,23).
What are the key properties of 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid?
2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 352.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 134255543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).