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

C8H15N5O2 — CID 106964121

IUPAC2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCCNCc1nnc(NC(C)C(N)=O)o1
InChIInChI=1S/C8H15N5O2/c1-3-10-4-6-12-13-8(15-6)11-5(2)7(9)14/h5,10H,3-4H2,1-2H3,(H2,9,14)(H,11,13)
InChIKeyKWEZXTKYEMZYLT-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.54
Rot. Bonds6

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

2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (PubChem CID 106964121) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
PubChem CID106964121
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCCNCc1nnc(NC(C)C(N)=O)o1
InChIInChI=1S/C8H15N5O2/c1-3-10-4-6-12-13-8(15-6)11-5(2)7(9)14/h5,10H,3-4H2,1-2H3,(H2,9,14)(H,11,13)
InChIKeyKWEZXTKYEMZYLT-UHFFFAOYSA-N
XLogP-0.54
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964200
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964115
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991
N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964253
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167814
5-(ethylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965526
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964132
N-tert-butyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964227
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106957266
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The IUPAC name of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (CID 106964121) is 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The canonical SMILES for 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is CCNCc1nnc(NC(C)C(N)=O)o1.
What is the InChIKey of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The InChIKey is KWEZXTKYEMZYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-3-10-4-6-12-13-8(15-6)11-5(2)7(9)14/h5,10H,3-4H2,1-2H3,(H2,9,14)(H,11,13).
What are the key properties of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide has a molecular weight of 213.24 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is sourced from PubChem (CID 106964121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).