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

C11H13N5O2 — CID 106966691

IUPAC4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
SMILESNCCc1nnc(Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C11H13N5O2/c12-6-5-9-15-16-11(18-9)14-8-3-1-7(2-4-8)10(13)17/h1-4H,5-6,12H2,(H2,13,17)(H,14,16)
InChIKeyRWAPPAVRHOWMBR-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.41
Rot. Bonds5

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

4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide (PubChem CID 106966691) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
PubChem CID106966691
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
SMILESNCCc1nnc(Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C11H13N5O2/c12-6-5-9-15-16-11(18-9)14-8-3-1-7(2-4-8)10(13)17/h1-4H,5-6,12H2,(H2,13,17)(H,14,16)
InChIKeyRWAPPAVRHOWMBR-UHFFFAOYSA-N
XLogP0.41
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]benzoic acid
CID 110456314
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966692
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 103436486
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456217
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 114209258
5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106969727
methyl 2-[4-[[5-[(4-aminophenyl)methyl]-1,3,4-oxadiazol-2-yl]amino]phenyl]acetate
CID 110456628
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide (CID 106966691) is 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide is NCCc1nnc(Nc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The InChIKey is RWAPPAVRHOWMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-6-5-9-15-16-11(18-9)14-8-3-1-7(2-4-8)10(13)17/h1-4H,5-6,12H2,(H2,13,17)(H,14,16).
What are the key properties of 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide has a molecular weight of 247.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide is sourced from PubChem (CID 106966691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).