3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide

C10H18N4O2 — CID 106397303

IUPAC3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESCC(C)C(N)CC(=O)NCCc1ncno1
InChIInChI=1S/C10H18N4O2/c1-7(2)8(11)5-9(15)12-4-3-10-13-6-14-16-10/h6-8H,3-5,11H2,1-2H3,(H,12,15)
InChIKeyFSSGYFVOTUATGG-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.10
Rot. Bonds6

About 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide

3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide (PubChem CID 106397303) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
PubChem CID106397303
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESCC(C)C(N)CC(=O)NCCc1ncno1
InChIInChI=1S/C10H18N4O2/c1-7(2)8(11)5-9(15)12-4-3-10-13-6-14-16-10/h6-8H,3-5,11H2,1-2H3,(H,12,15)
InChIKeyFSSGYFVOTUATGG-UHFFFAOYSA-N
XLogP0.10
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
CID 114183576
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
CID 106397552
2-(1-aminocyclobutyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397532
1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106407545
N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106399910
(2S)-4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106403863
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-phenylpropanamide
CID 106397456

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The IUPAC name of 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide (CID 106397303) is 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide is CC(C)C(N)CC(=O)NCCc1ncno1.
What is the InChIKey of 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The InChIKey is FSSGYFVOTUATGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)8(11)5-9(15)12-4-3-10-13-6-14-16-10/h6-8H,3-5,11H2,1-2H3,(H,12,15).
What are the key properties of 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide has a molecular weight of 226.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 106397303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).