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

C13H17N5O2 — CID 106966692

IUPAC4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
SMILESCCCNCc1nnc(Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C13H17N5O2/c1-2-7-15-8-11-17-18-13(20-11)16-10-5-3-9(4-6-10)12(14)19/h3-6,15H,2,7-8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyCXVQUTFVSBHNBQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds7

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

4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide (PubChem CID 106966692) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
PubChem CID106966692
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
SMILESCCCNCc1nnc(Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C13H17N5O2/c1-2-7-15-8-11-17-18-13(20-11)16-10-5-3-9(4-6-10)12(14)19/h3-6,15H,2,7-8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyCXVQUTFVSBHNBQ-UHFFFAOYSA-N
XLogP1.41
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966280
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 103436486
N-(4-fluoro-3-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960566
1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106969433
3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098974
N-(2,6-dibromo-4-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966963
4-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]benzoic acid
CID 110456314
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965056
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide (CID 106966692) is 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide is CCCNCc1nnc(Nc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
The InChIKey is CXVQUTFVSBHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-7-15-8-11-17-18-13(20-11)16-10-5-3-9(4-6-10)12(14)19/h3-6,15H,2,7-8H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide?
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide is sourced from PubChem (CID 106966692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).