2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide

C10H18N4O2 — CID 65227219

IUPAC2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCc1noc(CNC(=O)C(CN)C(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-6(2)8(4-11)10(15)12-5-9-13-7(3)14-16-9/h6,8H,4-5,11H2,1-3H3,(H,12,15)
InChIKeyJCOKZPYAMIUJBO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide

2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 65227219) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID65227219
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCc1noc(CNC(=O)C(CN)C(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-6(2)8(4-11)10(15)12-5-9-13-7(3)14-16-9/h6,8H,4-5,11H2,1-3H3,(H,12,15)
InChIKeyJCOKZPYAMIUJBO-UHFFFAOYSA-N
XLogP0.23
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-(aminomethyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 65228946
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
CID 61013892
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 65227219) is 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide is Cc1noc(CNC(=O)C(CN)C(C)C)n1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is JCOKZPYAMIUJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)8(4-11)10(15)12-5-9-13-7(3)14-16-9/h6,8H,4-5,11H2,1-3H3,(H,12,15).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 226.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 65227219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).