N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine

C10H9BrClN3O — CID 115924736

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2cc(Br)ccc2Cl)o1
InChIInChI=1S/C10H9BrClN3O/c1-6-14-15-10(16-6)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeySMEDJKPIGCNVNC-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.41
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 115924736) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID115924736
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2cc(Br)ccc2Cl)o1
InChIInChI=1S/C10H9BrClN3O/c1-6-14-15-10(16-6)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeySMEDJKPIGCNVNC-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115924978
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130702623
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
N-[(5-bromo-2-chlorophenyl)methyl]-N,5-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 146144344
3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol
CID 115924726
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
N-[(5-bromo-2-chlorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588161
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 115924736) is N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2cc(Br)ccc2Cl)o1.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is SMEDJKPIGCNVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-6-14-15-10(16-6)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 302.56 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).