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

C12H21N3O2 — CID 124842324

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCc1nnc(CN(C)CCC[C@H]2CCCO2)o1
InChIInChI=1S/C12H21N3O2/c1-10-13-14-12(17-10)9-15(2)7-3-5-11-6-4-8-16-11/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBZZWWUXNXXBITA-NSHDSACASA-N
MW239.32 g/mol
LogP1.77
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine (PubChem CID 124842324) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
PubChem CID124842324
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCc1nnc(CN(C)CCC[C@H]2CCCO2)o1
InChIInChI=1S/C12H21N3O2/c1-10-13-14-12(17-10)9-15(2)7-3-5-11-6-4-8-16-11/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBZZWWUXNXXBITA-NSHDSACASA-N
XLogP1.77
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(oxan-2-yl)ethanamine
CID 134710802
5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77096682
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-morpholin-2-ylmethanamine
CID 78945059
4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 77082731
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
CID 107205020
6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 125445407

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine (CID 124842324) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine is Cc1nnc(CN(C)CCC[C@H]2CCCO2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The InChIKey is BZZWWUXNXXBITA-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-13-14-12(17-10)9-15(2)7-3-5-11-6-4-8-16-11/h11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 124842324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).