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

C9H17N5O2 — CID 106969317

IUPAC2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nnc(C(C)N)o1
InChIInChI=1S/C9H17N5O2/c1-5(2)12-7(15)4-11-9-14-13-8(16-9)6(3)10/h5-6H,4,10H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyQIVOCWKFBMZRAV-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.03
Rot. Bonds5

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

2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide (PubChem CID 106969317) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
PubChem CID106969317
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nnc(C(C)N)o1
InChIInChI=1S/C9H17N5O2/c1-5(2)12-7(15)4-11-9-14-13-8(16-9)6(3)10/h5-6H,4,10H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyQIVOCWKFBMZRAV-UHFFFAOYSA-N
XLogP0.03
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethylacetamide
CID 106969294
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 106959440
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-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
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
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343666
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide
CID 79890029
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 110456355

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide (CID 106969317) is 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nnc(C(C)N)o1.
What is the InChIKey of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is QIVOCWKFBMZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5(2)12-7(15)4-11-9-14-13-8(16-9)6(3)10/h5-6H,4,10H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of 2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 227.27 g/mol, XLogP of 0.03, 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-propan-2-ylacetamide is sourced from PubChem (CID 106969317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).