5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine

C11H11ClFN3O — CID 117038908

IUPAC5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3O/c1-16(6-8-5-11(14)15-17-8)10-4-7(12)2-3-9(10)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyDVCLMCUVCZGWAO-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.69
Rot. Bonds3

About 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine

5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine (PubChem CID 117038908) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
PubChem CID117038908
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3O/c1-16(6-8-5-11(14)15-17-8)10-4-7(12)2-3-9(10)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyDVCLMCUVCZGWAO-UHFFFAOYSA-N
XLogP2.69
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038901
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038946
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038923
5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038935
5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039040
4-chloro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 113315624
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine (CID 117038908) is 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine is CN(Cc1cc(N)no1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine?
The InChIKey is DVCLMCUVCZGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-16(6-8-5-11(14)15-17-8)10-4-7(12)2-3-9(10)13/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine?
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine has a molecular weight of 255.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).