N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine

C9H16N4O — CID 63006477

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1noc(CNCC2CCNC2)n1
InChIInChI=1S/C9H16N4O/c1-7-12-9(14-13-7)6-11-5-8-2-3-10-4-8/h8,10-11H,2-6H2,1H3
InChIKeyLEKSISGLLDHIPZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 63006477) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID63006477
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1noc(CNCC2CCNC2)n1
InChIInChI=1S/C9H16N4O/c1-7-12-9(14-13-7)6-11-5-8-2-3-10-4-8/h8,10-11H,2-6H2,1H3
InChIKeyLEKSISGLLDHIPZ-UHFFFAOYSA-N
XLogP0.08
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63877202
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 154906930
N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006349
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714567
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60976106
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
1-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 115077275
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 63006477) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine is Cc1noc(CNCC2CCNC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is LEKSISGLLDHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-12-9(14-13-7)6-11-5-8-2-3-10-4-8/h8,10-11H,2-6H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 63006477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).