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

C7H13N5O2 — CID 106968768

IUPAC2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1nnc(C(C)N)o1
InChIInChI=1S/C7H13N5O2/c1-4(8)6-11-12-7(14-6)10-3-5(13)9-2/h4H,3,8H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyZDPOVFUOBKCGIL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.75
Rot. Bonds4

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

2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide (PubChem CID 106968768) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
PubChem CID106968768
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1nnc(C(C)N)o1
InChIInChI=1S/C7H13N5O2/c1-4(8)6-11-12-7(14-6)10-3-5(13)9-2/h4H,3,8H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyZDPOVFUOBKCGIL-UHFFFAOYSA-N
XLogP-0.75
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.75
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-propan-2-ylacetamide
CID 106969317
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide
CID 106969294
2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N-methylacetamide
CID 103436631
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]acetamide
CID 130618917
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
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-methylacetamide?
The IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide (CID 106968768) is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide is CNC(=O)CNc1nnc(C(C)N)o1.
What is the InChIKey of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
The InChIKey is ZDPOVFUOBKCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-4(8)6-11-12-7(14-6)10-3-5(13)9-2/h4H,3,8H2,1-2H3,(H,9,13)(H,10,12).
What are the key properties of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide has a molecular weight of 199.21 g/mol, XLogP of -0.75, 4 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-methylacetamide is sourced from PubChem (CID 106968768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).