2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C14H18N4O3 — CID 131921480

IUPAC2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(C)c1noc(C(C)NC(=O)c2cc(O)ccc2N)n1
InChIInChI=1S/C14H18N4O3/c1-7(2)12-17-14(21-18-12)8(3)16-13(20)10-6-9(19)4-5-11(10)15/h4-8,19H,15H2,1-3H3,(H,16,20)
InChIKeyPPMNZGPPIRKAJH-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 131921480) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID131921480
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(C)c1noc(C(C)NC(=O)c2cc(O)ccc2N)n1
InChIInChI=1S/C14H18N4O3/c1-7(2)12-17-14(21-18-12)8(3)16-13(20)10-6-9(19)4-5-11(10)15/h4-8,19H,15H2,1-3H3,(H,16,20)
InChIKeyPPMNZGPPIRKAJH-UHFFFAOYSA-N
XLogP1.97
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(S)-2-(3-(3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl)-2-(methylamino)propanamido)benzoic acid
CID 136000669
2-[[2-Amino-3-[3-(4-fluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-methylamino]benzoic acid
CID 71179378
4-fluoro-N-[(1S)-2-hydroxy-1-[3-[N-(4-hydroxy-2-methylphenyl)-C-methylcarbonimidoyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 167046769
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 56331728
2,4,5-Trifluoro-3-hydroxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-YL)propyl]benzamide
CID 86789890
2,4,5-trifluoro-3-hydroxy-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 99823010
2,4,5-trifluoro-3-hydroxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 99823011
3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethoxy)quinazolin-4(3H)-one
CID 124205410
3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethoxy)quinazolin-4-one
CID 125516458
3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethoxy)quinazolin-4-one
CID 125516459
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-difluoro-3-hydroxybenzamide
CID 132379087
3-[[3-(2-Aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-fluoro-6-methoxyquinazolin-4-one
CID 167842322

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 131921480) is 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is CC(C)c1noc(C(C)NC(=O)c2cc(O)ccc2N)n1.
What is the InChIKey of 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is PPMNZGPPIRKAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7(2)12-17-14(21-18-12)8(3)16-13(20)10-6-9(19)4-5-11(10)15/h4-8,19H,15H2,1-3H3,(H,16,20).
What are the key properties of 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 290.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 131921480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).