5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide

C10H10N4O3 — CID 102790240

IUPAC5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(COc2ccc(N)cc2)n1
InChIInChI=1S/C10H10N4O3/c11-6-1-3-7(4-2-6)16-5-8-13-10(9(12)15)14-17-8/h1-4H,5,11H2,(H2,12,15)
InChIKeyFXDOLCMFCGSNNW-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.33
Rot. Bonds4

About 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide

5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790240) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790240
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(COc2ccc(N)cc2)n1
InChIInChI=1S/C10H10N4O3/c11-6-1-3-7(4-2-6)16-5-8-13-10(9(12)15)14-17-8/h1-4H,5,11H2,(H2,12,15)
InChIKeyFXDOLCMFCGSNNW-UHFFFAOYSA-N
XLogP0.33
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790931
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
4-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115345427
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 116807402
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 116740363
4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63770811
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119322902
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790240) is 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(COc2ccc(N)cc2)n1.
What is the InChIKey of 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FXDOLCMFCGSNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-6-1-3-7(4-2-6)16-5-8-13-10(9(12)15)14-17-8/h1-4H,5,11H2,(H2,12,15).
What are the key properties of 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).