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

C11H14BrN3O2 — CID 99778916

IUPAC(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC[C@@H](NCc1ccc(Br)o1)c1noc(C)n1
InChIInChI=1S/C11H14BrN3O2/c1-3-9(11-14-7(2)17-15-11)13-6-8-4-5-10(12)16-8/h4-5,9,13H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyDFVHHJLFOIIGNM-SECBINFHSA-N
MW300.16 g/mol
LogP2.97
Rot. Bonds5

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

(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 99778916) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID99778916
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC[C@@H](NCc1ccc(Br)o1)c1noc(C)n1
InChIInChI=1S/C11H14BrN3O2/c1-3-9(11-14-7(2)17-15-11)13-6-8-4-5-10(12)16-8/h4-5,9,13H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyDFVHHJLFOIIGNM-SECBINFHSA-N
XLogP2.97
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 1251663
5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 47045422
5-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-furamide
CID 2989201
3-Tert-butyl-5-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 45807520
5-[1-[4-(Furan-2-ylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 45808035
5-[1-[4-(Furan-2-ylmethyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 45808036
N-ethyl-N-(furan-2-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 45826684
(5-Bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47296921
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 51081809
N-ethyl-N-(furan-2-ylmethyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 51081810
N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338094
N-ethyl-N-(furan-2-ylmethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 53506393

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 99778916) is (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine is CC[C@@H](NCc1ccc(Br)o1)c1noc(C)n1.
What is the InChIKey of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is DFVHHJLFOIIGNM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-3-9(11-14-7(2)17-15-11)13-6-8-4-5-10(12)16-8/h4-5,9,13H,3,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 300.16 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 99778916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).