N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine

C12H15BrN4O — CID 126834221

IUPACN-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1nc(-c2ccncc2Br)no1
InChIInChI=1S/C12H15BrN4O/c1-8(2)17(3)7-11-15-12(16-18-11)9-4-5-14-6-10(9)13/h4-6,8H,7H2,1-3H3
InChIKeyZNEKHLYEKKYYDQ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.73
Rot. Bonds4

About N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine

N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine (PubChem CID 126834221) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
PubChem CID126834221
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC NameN-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1nc(-c2ccncc2Br)no1
InChIInChI=1S/C12H15BrN4O/c1-8(2)17(3)7-11-15-12(16-18-11)9-4-5-14-6-10(9)13/h4-6,8H,7H2,1-3H3
InChIKeyZNEKHLYEKKYYDQ-UHFFFAOYSA-N
XLogP2.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(3-bromo-4-pyridinyl)-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
CID 126834223
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94421822
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
2-methyl-3-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526560
3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126834218
(1S)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 97079286
4-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82689072
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 50964223
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114015506
4-[1-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethyl]benzenesulfonamide
CID 42918150
2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290399

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine (CID 126834221) is N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1nc(-c2ccncc2Br)no1.
What is the InChIKey of N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is ZNEKHLYEKKYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-8(2)17(3)7-11-15-12(16-18-11)9-4-5-14-6-10(9)13/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 311.18 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 126834221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).