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

C8H15N3O2 — CID 62341796

IUPACN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCOCc1nc(CNC(C)C)no1
InChIInChI=1S/C8H15N3O2/c1-6(2)9-4-7-10-8(5-12-3)13-11-7/h6,9H,4-5H2,1-3H3
InChIKeyNOTUTOMSQHWHRK-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.71
Rot. Bonds5

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

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 62341796) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID62341796
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCOCc1nc(CNC(C)C)no1
InChIInChI=1S/C8H15N3O2/c1-6(2)9-4-7-10-8(5-12-3)13-11-7/h6,9H,4-5H2,1-3H3
InChIKeyNOTUTOMSQHWHRK-UHFFFAOYSA-N
XLogP0.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 112603783
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
CID 110019524
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342168
N-[[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205518
3-(isocyanomethyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 18953443
4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 91762217
N-[[5-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62538490
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 63350605
(3R)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]thiolan-3-amine
CID 95138034

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 62341796) is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is COCc1nc(CNC(C)C)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is NOTUTOMSQHWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(2)9-4-7-10-8(5-12-3)13-11-7/h6,9H,4-5H2,1-3H3.
What are the key properties of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 185.23 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62341796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).