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

C8H13N3O2 — CID 166247490

IUPACN-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(C2CCCCO2)o1
InChIInChI=1S/C8H13N3O2/c1-9-8-11-10-7(13-8)6-4-2-3-5-12-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyGFZANYZECDDCDH-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.35
Rot. Bonds2

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

N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 166247490) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID166247490
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(C2CCCCO2)o1
InChIInChI=1S/C8H13N3O2/c1-9-8-11-10-7(13-8)6-4-2-3-5-12-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyGFZANYZECDDCDH-UHFFFAOYSA-N
XLogP1.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 62213336
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
5-[(2S,5S)-5-(chloromethyl)oxolan-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 125456872
N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 115085883
N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085884
N-[(4-chloro-2-methylphenyl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
CID 99633688
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62213931
[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
CID 164839545
2-[(2R)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490163
2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490164

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine (CID 166247490) is N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine is CNc1nnc(C2CCCCO2)o1.
What is the InChIKey of N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GFZANYZECDDCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-8-11-10-7(13-8)6-4-2-3-5-12-6/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 183.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166247490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).