4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C10H8BrF2N3O — CID 114015399

IUPAC4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2cc(F)c(Br)cc2F)o1
InChIInChI=1S/C10H8BrF2N3O/c1-5-15-16-10(17-5)4-14-9-3-7(12)6(11)2-8(9)13/h2-3,14H,4H2,1H3
InChIKeyKYAXAEHZZJOWQM-UHFFFAOYSA-N
MW304.09 g/mol
LogP3.03
Rot. Bonds3

About 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 114015399) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID114015399
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2cc(F)c(Br)cc2F)o1
InChIInChI=1S/C10H8BrF2N3O/c1-5-15-16-10(17-5)4-14-9-3-7(12)6(11)2-8(9)13/h2-3,14H,4H2,1H3
InChIKeyKYAXAEHZZJOWQM-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961
2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914730
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114209069
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
CID 107609488
N-(4-bromo-2,5-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107608662
2,3,4,5,6-pentafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914791
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
3,5-dichloro-4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914951
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 114015399) is 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is Cc1nnc(CNc2cc(F)c(Br)cc2F)o1.
What is the InChIKey of 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is KYAXAEHZZJOWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c1-5-15-16-10(17-5)4-14-9-3-7(12)6(11)2-8(9)13/h2-3,14H,4H2,1H3.
What are the key properties of 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 304.09 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 114015399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).