N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C14H13BrN4O — CID 106963464

IUPACN-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C14H13BrN4O/c1-16-8-13-18-19-14(20-13)17-12-5-3-9-6-11(15)4-2-10(9)7-12/h2-7,16H,8H2,1H3,(H,17,19)
InChIKeyQCONVPBKDUFAEH-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.45
Rot. Bonds4

About N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963464) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963464
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C14H13BrN4O/c1-16-8-13-18-19-14(20-13)17-12-5-3-9-6-11(15)4-2-10(9)7-12/h2-7,16H,8H2,1H3,(H,17,19)
InChIKeyQCONVPBKDUFAEH-UHFFFAOYSA-N
XLogP3.45
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106963464) is N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(Nc2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QCONVPBKDUFAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-16-8-13-18-19-14(20-13)17-12-5-3-9-6-11(15)4-2-10(9)7-12/h2-7,16H,8H2,1H3,(H,17,19).
What are the key properties of N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 333.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).