2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide

C8H15N5O2 — CID 106969294

IUPAC2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nnc(C(C)N)o1
InChIInChI=1S/C8H15N5O2/c1-3-10-6(14)4-11-8-13-12-7(15-8)5(2)9/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,13)
InChIKeySREKECDNEJGKHD-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.36
Rot. Bonds5

About 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide

2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide (PubChem CID 106969294) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide
PubChem CID106969294
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nnc(C(C)N)o1
InChIInChI=1S/C8H15N5O2/c1-3-10-6(14)4-11-8-13-12-7(15-8)5(2)9/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,13)
InChIKeySREKECDNEJGKHD-UHFFFAOYSA-N
XLogP-0.36
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
CID 106968768
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106969317
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
N-ethyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969289
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
N,N-diethyl-2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964475
5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964860

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide (CID 106969294) is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide is CCNC(=O)CNc1nnc(C(C)N)o1.
What is the InChIKey of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide?
The InChIKey is SREKECDNEJGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-3-10-6(14)4-11-8-13-12-7(15-8)5(2)9/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,13).
What are the key properties of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide?
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide has a molecular weight of 213.24 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide is sourced from PubChem (CID 106969294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).