2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C10H8Br2ClN3O — CID 114209069

IUPAC2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2c(Br)cc(Cl)cc2Br)o1
InChIInChI=1S/C10H8Br2ClN3O/c1-5-15-16-9(17-5)4-14-10-7(11)2-6(13)3-8(10)12/h2-3,14H,4H2,1H3
InChIKeyYENJGPGKAAPNHB-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.17
Rot. Bonds3

About 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 114209069) has the molecular formula C10H8Br2ClN3O and a molecular weight of 381.46 g/mol. Its IUPAC name is 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID114209069
Molecular FormulaC10H8Br2ClN3O
Molecular Weight381.46 g/mol
Exact Mass378.87
IUPAC Name2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2c(Br)cc(Cl)cc2Br)o1
InChIInChI=1S/C10H8Br2ClN3O/c1-5-15-16-9(17-5)4-14-10-7(11)2-6(13)3-8(10)12/h2-3,14H,4H2,1H3
InChIKeyYENJGPGKAAPNHB-UHFFFAOYSA-N
XLogP4.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 114209069) is 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is Cc1nnc(CNc2c(Br)cc(Cl)cc2Br)o1.
What is the InChIKey of 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is YENJGPGKAAPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClN3O/c1-5-15-16-9(17-5)4-14-10-7(11)2-6(13)3-8(10)12/h2-3,14H,4H2,1H3.
What are the key properties of 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 381.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 114209069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).