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

C9H15N5O2 — CID 106964115

IUPAC2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCC(Nc1nnc(CNC2CC2)o1)C(N)=O
InChIInChI=1S/C9H15N5O2/c1-5(8(10)15)12-9-14-13-7(16-9)4-11-6-2-3-6/h5-6,11H,2-4H2,1H3,(H2,10,15)(H,12,14)
InChIKeyAGUMAYCCOQUMNS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.39
Rot. Bonds6

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

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide (PubChem CID 106964115) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
PubChem CID106964115
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCC(Nc1nnc(CNC2CC2)o1)C(N)=O
InChIInChI=1S/C9H15N5O2/c1-5(8(10)15)12-9-14-13-7(16-9)4-11-6-2-3-6/h5-6,11H,2-4H2,1H3,(H2,10,15)(H,12,14)
InChIKeyAGUMAYCCOQUMNS-UHFFFAOYSA-N
XLogP-0.39
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
CID 106965766
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106964162
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 106964127
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121
N-cyclopropyl-2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964200
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969066
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 106964518
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960442
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
5-[(cyclopropylamino)methyl]-N-[1-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970352
N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106962873

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
The IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide (CID 106964115) is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
The canonical SMILES for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide is CC(Nc1nnc(CNC2CC2)o1)C(N)=O.
What is the InChIKey of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
The InChIKey is AGUMAYCCOQUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5(8(10)15)12-9-14-13-7(16-9)4-11-6-2-3-6/h5-6,11H,2-4H2,1H3,(H2,10,15)(H,12,14).
What are the key properties of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide has a molecular weight of 225.25 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide is sourced from PubChem (CID 106964115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).