N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine

C11H7F5N2O — CID 65179268

IUPACN-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
SMILESCNCc1ncc(-c2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C11H7F5N2O/c1-17-3-5-18-2-4(19-5)6-7(12)9(14)11(16)10(15)8(6)13/h2,17H,3H2,1H3
InChIKeyJXISXMPGKXEEOR-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine

N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65179268) has the molecular formula C11H7F5N2O and a molecular weight of 278.18 g/mol. Its IUPAC name is N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65179268
Molecular FormulaC11H7F5N2O
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC NameN-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
SMILESCNCc1ncc(-c2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C11H7F5N2O/c1-17-3-5-18-2-4(19-5)6-7(12)9(14)11(16)10(15)8(6)13/h2,17H,3H2,1H3
InChIKeyJXISXMPGKXEEOR-UHFFFAOYSA-N
XLogP2.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
1-[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178721
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179211
N-methyl-1-[5-(3-methylfuran-2-yl)-1,3-oxazol-2-yl]methanamine
CID 65178874
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178511
N-[[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183984
1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179261
N-ethyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181853

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine (CID 65179268) is N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine is CNCc1ncc(-c2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is JXISXMPGKXEEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O/c1-17-3-5-18-2-4(19-5)6-7(12)9(14)11(16)10(15)8(6)13/h2,17H,3H2,1H3.
What are the key properties of N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine?
N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 278.18 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65179268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).