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

C9H17N3O2 — CID 62138711

IUPACN-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)10-5-7-11-12-8(14-7)6-13-4/h10H,5-6H2,1-4H3
InChIKeyKZRZLIZMFIYKGC-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.10
Rot. Bonds4

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

N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62138711) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62138711
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)10-5-7-11-12-8(14-7)6-13-4/h10H,5-6H2,1-4H3
InChIKeyKZRZLIZMFIYKGC-UHFFFAOYSA-N
XLogP1.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 103211965
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103211971
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103211977
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 103212004
N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 103212007
N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103212011
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 113788782
Tert-butyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
CID 60710552
1-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 103605038
(5-Tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol
CID 147461741
N-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62136707
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62136842

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62138711) is N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is COCc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KZRZLIZMFIYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,3)10-5-7-11-12-8(14-7)6-13-4/h10H,5-6H2,1-4H3.
What are the key properties of N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62138711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).