5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C12H14N4O3 — CID 102790538

IUPAC5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C12H14N4O3/c1-13-11(18)10-15-12(19-16-10)8-2-4-9(5-3-8)14-6-7-17/h2-5,14,17H,6-7H2,1H3,(H,13,18)
InChIKeyCUEIJAWLNWBEKT-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.50
Rot. Bonds5

About 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790538) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790538
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C12H14N4O3/c1-13-11(18)10-15-12(19-16-10)8-2-4-9(5-3-8)14-6-7-17/h2-5,14,17H,6-7H2,1H3,(H,13,18)
InChIKeyCUEIJAWLNWBEKT-UHFFFAOYSA-N
XLogP0.50
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790656
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
CID 60837428
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543
2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116808303
2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 107925177
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116702620
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
methyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 175668866
3-[3-fluoro-4-[5-[4-(2-hydroxyethylamino)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-[[5-(4-methylphenyl)furan-2-carbonyl]amino]propanoic acid
CID 53374812
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790538) is 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(-c2ccc(NCCO)cc2)n1.
What is the InChIKey of 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CUEIJAWLNWBEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-13-11(18)10-15-12(19-16-10)8-2-4-9(5-3-8)14-6-7-17/h2-5,14,17H,6-7H2,1H3,(H,13,18).
What are the key properties of 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).