N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide

C13H21N5O2 — CID 106962873

IUPACN-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
SMILESO=C(CCCNc1nnc(CNC2CC2)o1)NC1CC1
InChIInChI=1S/C13H21N5O2/c19-11(16-10-5-6-10)2-1-7-14-13-18-17-12(20-13)8-15-9-3-4-9/h9-10,15H,1-8H2,(H,14,18)(H,16,19)
InChIKeyDMNAWQIYTFWHEQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.79
Rot. Bonds9

About N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide

N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide (PubChem CID 106962873) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
PubChem CID106962873
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
SMILESO=C(CCCNc1nnc(CNC2CC2)o1)NC1CC1
InChIInChI=1S/C13H21N5O2/c19-11(16-10-5-6-10)2-1-7-14-13-18-17-12(20-13)8-15-9-3-4-9/h9-10,15H,1-8H2,(H,14,18)(H,16,19)
InChIKeyDMNAWQIYTFWHEQ-UHFFFAOYSA-N
XLogP0.79
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide (CID 106962873) is N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide is O=C(CCCNc1nnc(CNC2CC2)o1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
The InChIKey is DMNAWQIYTFWHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-11(16-10-5-6-10)2-1-7-14-13-18-17-12(20-13)8-15-9-3-4-9/h9-10,15H,1-8H2,(H,14,18)(H,16,19).
What are the key properties of N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide has a molecular weight of 279.34 g/mol, XLogP of 0.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide is sourced from PubChem (CID 106962873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).