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

C10H17N3O2 — CID 62385488

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1noc(CNCC2CCOCC2)n1
InChIInChI=1S/C10H17N3O2/c1-8-12-10(15-13-8)7-11-6-9-2-4-14-5-3-9/h9,11H,2-7H2,1H3
InChIKeyLHODUBSBCFFOMN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.89
Rot. Bonds4

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62385488) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID62385488
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1noc(CNCC2CCOCC2)n1
InChIInChI=1S/C10H17N3O2/c1-8-12-10(15-13-8)7-11-6-9-2-4-14-5-3-9/h9,11H,2-7H2,1H3
InChIKeyLHODUBSBCFFOMN-UHFFFAOYSA-N
XLogP0.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine (CID 62385488) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine is Cc1noc(CNCC2CCOCC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is LHODUBSBCFFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-12-10(15-13-8)7-11-6-9-2-4-14-5-3-9/h9,11H,2-7H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 211.26 g/mol, XLogP of 0.89, 4 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]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62385488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).