3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide

C10H11N5O2 — CID 114003802

IUPAC3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
SMILESNCc1nnc(Nc2cccc(C(N)=O)c2)o1
InChIInChI=1S/C10H11N5O2/c11-5-8-14-15-10(17-8)13-7-3-1-2-6(4-7)9(12)16/h1-4H,5,11H2,(H2,12,16)(H,13,15)
InChIKeySAVAVRZKOCMCBU-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.37
Rot. Bonds4

About 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide

3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide (PubChem CID 114003802) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
PubChem CID114003802
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
SMILESNCc1nnc(Nc2cccc(C(N)=O)c2)o1
InChIInChI=1S/C10H11N5O2/c11-5-8-14-15-10(17-8)13-7-3-1-2-6(4-7)9(12)16/h1-4H,5,11H2,(H2,12,16)(H,13,15)
InChIKeySAVAVRZKOCMCBU-UHFFFAOYSA-N
XLogP0.37
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968307
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966692
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
3-hydrazinylbenzamide;hydrochloride
CID 90487444
3-(methylamino)benzamide
CID 18727714
3-(trifluoromethylamino)benzamide
CID 150882306
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 103436486
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
ethane;3-(methylamino)benzamide
CID 142071023

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The IUPAC name of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide (CID 114003802) is 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The canonical SMILES for 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide is NCc1nnc(Nc2cccc(C(N)=O)c2)o1.
What is the InChIKey of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The InChIKey is SAVAVRZKOCMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-5-8-14-15-10(17-8)13-7-3-1-2-6(4-7)9(12)16/h1-4H,5,11H2,(H2,12,16)(H,13,15).
What are the key properties of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide has a molecular weight of 233.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide is sourced from PubChem (CID 114003802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).