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

C10H10N4O2 — CID 102790274

IUPAC5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C(N)c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c11-7(6-4-2-1-3-5-6)10-13-9(8(12)15)14-16-10/h1-5,7H,11H2,(H2,12,15)
InChIKeyQQZFBAQSDKSNNW-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.22
Rot. Bonds3

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

5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790274) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790274
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C(N)c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c11-7(6-4-2-1-3-5-6)10-13-9(8(12)15)14-16-10/h1-5,7H,11H2,(H2,12,15)
InChIKeyQQZFBAQSDKSNNW-UHFFFAOYSA-N
XLogP0.22
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(S)-amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 104898772
5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790267
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790212
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 43109480
4-[5-[amino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888836
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898760
(S)-phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 104898633
phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62551887

Frequently Asked Questions

What is the IUPAC name of 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790274) is 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C(N)c2ccccc2)n1.
What is the InChIKey of 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QQZFBAQSDKSNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-7(6-4-2-1-3-5-6)10-13-9(8(12)15)14-16-10/h1-5,7H,11H2,(H2,12,15).
What are the key properties of 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).