N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine

C13H18N4O — CID 154770051

IUPACN,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
SMILESCC(C)c1noc(C(c2cccnc2)N(C)C)n1
InChIInChI=1S/C13H18N4O/c1-9(2)12-15-13(18-16-12)11(17(3)4)10-6-5-7-14-8-10/h5-9,11H,1-4H3
InChIKeyGAOWBQMLQSIGST-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.24
Rot. Bonds4

About N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine

N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine (PubChem CID 154770051) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
PubChem CID154770051
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
SMILESCC(C)c1noc(C(c2cccnc2)N(C)C)n1
InChIInChI=1S/C13H18N4O/c1-9(2)12-15-13(18-16-12)11(17(3)4)10-6-5-7-14-8-10/h5-9,11H,1-4H3
InChIKeyGAOWBQMLQSIGST-UHFFFAOYSA-N
XLogP2.24
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole
CID 167887186
4-[dimethylamino(pyridin-3-yl)methyl]aniline
CID 116907051
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
CID 130465955
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 51086780
1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865877

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine (CID 154770051) is N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine is CC(C)c1noc(C(c2cccnc2)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine?
The InChIKey is GAOWBQMLQSIGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)12-15-13(18-16-12)11(17(3)4)10-6-5-7-14-8-10/h5-9,11H,1-4H3.
What are the key properties of N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine?
N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 154770051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).