3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid

C20H20N4O5 — CID 145151152

IUPAC3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid
SMILESCC(O)C(NC(=O)NCc1nc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)O
InChIInChI=1S/C20H20N4O5/c1-12(25)17(19(26)27)23-20(28)21-11-16-22-18(24-29-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,17,25H,11H2,1H3,(H,26,27)(H2,21,23,28)
InChIKeyHGSQIYUWKNCJOF-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.04
Rot. Bonds7

About 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid

3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid (PubChem CID 145151152) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid
PubChem CID145151152
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid
SMILESCC(O)C(NC(=O)NCc1nc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)O
InChIInChI=1S/C20H20N4O5/c1-12(25)17(19(26)27)23-20(28)21-11-16-22-18(24-29-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,17,25H,11H2,1H3,(H,26,27)(H2,21,23,28)
InChIKeyHGSQIYUWKNCJOF-UHFFFAOYSA-N
XLogP2.04
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid with MolForge

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Related Compounds

acetamide;2-[[3-(1H-benzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 145151202
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
acetic acid;2-[[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 145151190
2-[[3-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 123295543
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 123498855
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 50874997
2-[(2-chlorophenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 61182988
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole
CID 142331384
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid (CID 145151152) is 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid is CC(O)C(NC(=O)NCc1nc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid?
The InChIKey is HGSQIYUWKNCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-12(25)17(19(26)27)23-20(28)21-11-16-22-18(24-29-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,17,25H,11H2,1H3,(H,26,27)(H2,21,23,28).
What are the key properties of 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid?
3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid has a molecular weight of 396.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 145151152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).