3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide

C9H17N5O3 — CID 106964385

IUPAC3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1nnc(CN)o1
InChIInChI=1S/C9H17N5O3/c1-16-5-4-11-7(15)2-3-12-9-14-13-8(6-10)17-9/h2-6,10H2,1H3,(H,11,15)(H,12,14)
InChIKeyCTZQWCKQTCOZAE-UHFFFAOYSA-N
MW243.27 g/mol
LogP-0.91
Rot. Bonds8

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

3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 106964385) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID106964385
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1nnc(CN)o1
InChIInChI=1S/C9H17N5O3/c1-16-5-4-11-7(15)2-3-12-9-14-13-8(6-10)17-9/h2-6,10H2,1H3,(H,11,15)(H,12,14)
InChIKeyCTZQWCKQTCOZAE-UHFFFAOYSA-N
XLogP-0.91
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964544
N-(2-methoxyethyl)-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964540
N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
CID 106659899
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 107914835
3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N-propylpropanamide
CID 103436886
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456081
3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 106280983
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide (CID 106964385) is 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1nnc(CN)o1.
What is the InChIKey of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is CTZQWCKQTCOZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-16-5-4-11-7(15)2-3-12-9-14-13-8(6-10)17-9/h2-6,10H2,1H3,(H,11,15)(H,12,14).
What are the key properties of 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 243.27 g/mol, XLogP of -0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106964385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).