N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine

C9H15N3O2 — CID 61014456

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
SMILESCc1noc(CNC2CCOCC2)n1
InChIInChI=1S/C9H15N3O2/c1-7-11-9(14-12-7)6-10-8-2-4-13-5-3-8/h8,10H,2-6H2,1H3
InChIKeyDSFAFBYQLFDBCG-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.65
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine (PubChem CID 61014456) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
PubChem CID61014456
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
SMILESCc1noc(CNC2CCOCC2)n1
InChIInChI=1S/C9H15N3O2/c1-7-11-9(14-12-7)6-10-8-2-4-13-5-3-8/h8,10H,2-6H2,1H3
InChIKeyDSFAFBYQLFDBCG-UHFFFAOYSA-N
XLogP0.65
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
CID 61014333
3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
CID 80705304
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244542
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 61015493
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
CID 126857808
N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 130839463
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 115716913
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine (CID 61014456) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine is Cc1noc(CNC2CCOCC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine?
The InChIKey is DSFAFBYQLFDBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-11-9(14-12-7)6-10-8-2-4-13-5-3-8/h8,10H,2-6H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine has a molecular weight of 197.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine is sourced from PubChem (CID 61014456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).