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

C14H19BrN4O2 — CID 79114919

IUPAC4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCC(N)CC1
InChIInChI=1S/C14H19BrN4O2/c1-19(10-4-2-9(16)3-5-10)8-13-17-18-14(21-13)11-6-7-12(15)20-11/h6-7,9-10H,2-5,8,16H2,1H3
InChIKeyCEZUVYPHTKMUOE-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.79
Rot. Bonds4

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

4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79114919) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79114919
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCC(N)CC1
InChIInChI=1S/C14H19BrN4O2/c1-19(10-4-2-9(16)3-5-10)8-13-17-18-14(21-13)11-6-7-12(15)20-11/h6-7,9-10H,2-5,8,16H2,1H3
InChIKeyCEZUVYPHTKMUOE-UHFFFAOYSA-N
XLogP2.79
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine (CID 79114919) is 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine is CN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is CEZUVYPHTKMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-19(10-4-2-9(16)3-5-10)8-13-17-18-14(21-13)11-6-7-12(15)20-11/h6-7,9-10H,2-5,8,16H2,1H3.
What are the key properties of 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 355.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79114919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).