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

C10H17N3O2 — CID 62859100

IUPACN-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(C2CCOC2)o1
InChIInChI=1S/C10H17N3O2/c1-3-8(11-2)10-13-12-9(15-10)7-4-5-14-6-7/h7-8,11H,3-6H2,1-2H3
InChIKeyRTXIXSJJTYQORD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.24
Rot. Bonds4

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

N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62859100) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62859100
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(C2CCOC2)o1
InChIInChI=1S/C10H17N3O2/c1-3-8(11-2)10-13-12-9(15-10)7-4-5-14-6-7/h7-8,11H,3-6H2,1-2H3
InChIKeyRTXIXSJJTYQORD-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62905353
N-methyl-1-[5-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859270
N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63014214
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81327538
2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 63012070
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62859118
N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62907458
2-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115021308
2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 62856349

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62859100) is N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(NC)c1nnc(C2CCOC2)o1.
What is the InChIKey of N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is RTXIXSJJTYQORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-8(11-2)10-13-12-9(15-10)7-4-5-14-6-7/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62859100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).