N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine

C11H19N3O2 — CID 131926915

IUPACN-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(N(C)CC2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-3-5-10-12-11(13-16-10)14(2)8-9-6-4-7-15-9/h9H,3-8H2,1-2H3
InChIKeyOUHHBGWOZAXGGN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds5

About N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine

N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine (PubChem CID 131926915) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine
PubChem CID131926915
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(N(C)CC2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-3-5-10-12-11(13-16-10)14(2)8-9-6-4-7-15-9/h9H,3-8H2,1-2H3
InChIKeyOUHHBGWOZAXGGN-UHFFFAOYSA-N
XLogP1.64
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80795329
5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957071
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
N-methyl-N-(2-morpholin-4-ylpropyl)-5-propyl-1,2,4-oxadiazol-3-amine
CID 131919501
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
2-N,2-N,4-N,5,6-pentamethyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 95124889
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 94402643
N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878729

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine (CID 131926915) is N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine is CCCc1nc(N(C)CC2CCCO2)no1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine?
The InChIKey is OUHHBGWOZAXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-10-12-11(13-16-10)14(2)8-9-6-4-7-15-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine?
N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine has a molecular weight of 225.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 131926915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).