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

C10H18N4O2 — CID 61013892

IUPAC6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
SMILESCc1noc(CNC(=O)CCCCCN)n1
InChIInChI=1S/C10H18N4O2/c1-8-13-10(16-14-8)7-12-9(15)5-3-2-4-6-11/h2-7,11H2,1H3,(H,12,15)
InChIKeyCODHSWJTPGKXJM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.51
Rot. Bonds7

About 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide

6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide (PubChem CID 61013892) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
PubChem CID61013892
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
SMILESCc1noc(CNC(=O)CCCCCN)n1
InChIInChI=1S/C10H18N4O2/c1-8-13-10(16-14-8)7-12-9(15)5-3-2-4-6-11/h2-7,11H2,1H3,(H,12,15)
InChIKeyCODHSWJTPGKXJM-UHFFFAOYSA-N
XLogP0.51
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63877202
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 65227219
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 113314102
N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119643264
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119643263

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide (CID 61013892) is 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide is Cc1noc(CNC(=O)CCCCCN)n1.
What is the InChIKey of 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide?
The InChIKey is CODHSWJTPGKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8-13-10(16-14-8)7-12-9(15)5-3-2-4-6-11/h2-7,11H2,1H3,(H,12,15).
What are the key properties of 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide?
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide has a molecular weight of 226.28 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide is sourced from PubChem (CID 61013892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).