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

C14H19BrN4O2 — CID 63304555

IUPACN-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCNC1
InChIInChI=1S/C14H19BrN4O2/c1-2-7-19(10-5-6-16-8-10)9-13-17-18-14(21-13)11-3-4-12(15)20-11/h3-4,10,16H,2,5-9H2,1H3
InChIKeyJYCCGRBWECWWFP-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.67
Rot. Bonds6

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

N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63304555) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine
PubChem CID63304555
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC NameN-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCNC1
InChIInChI=1S/C14H19BrN4O2/c1-2-7-19(10-5-6-16-8-10)9-13-17-18-14(21-13)11-3-4-12(15)20-11/h3-4,10,16H,2,5-9H2,1H3
InChIKeyJYCCGRBWECWWFP-UHFFFAOYSA-N
XLogP2.67
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63304604
N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106637026
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-ethylpyrrolidin-3-amine
CID 63300120
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetic acid
CID 61008533
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine (CID 63304555) is N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCNC1.
What is the InChIKey of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is JYCCGRBWECWWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-2-7-19(10-5-6-16-8-10)9-13-17-18-14(21-13)11-3-4-12(15)20-11/h3-4,10,16H,2,5-9H2,1H3.
What are the key properties of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine?
N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 355.24 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63304555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).