(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine

C11H14N4O — CID 81404854

IUPAC(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1nonc1CN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H14N4O/c1-8(10-4-3-5-12-6-10)13-7-11-9(2)14-16-15-11/h3-6,8,13H,7H2,1-2H3/t8-/m0/s1
InChIKeyPBJOMPSEINVDKO-QMMMGPOBSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds4

About (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 81404854) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID81404854
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1nonc1CN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H14N4O/c1-8(10-4-3-5-12-6-10)13-7-11-9(2)14-16-15-11/h3-6,8,13H,7H2,1-2H3/t8-/m0/s1
InChIKeyPBJOMPSEINVDKO-QMMMGPOBSA-N
XLogP1.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81381659
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
(1R)-1-(4-fluorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81348124
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401851
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine (CID 81404854) is (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine is Cc1nonc1CN[C@@H](C)c1cccnc1.
What is the InChIKey of (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is PBJOMPSEINVDKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(10-4-3-5-12-6-10)13-7-11-9(2)14-16-15-11/h3-6,8,13H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81404854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).