N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine

C14H17FN2O2 — CID 65183247

IUPACN-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C14H17FN2O2/c1-3-16-7-6-14-17-9-13(19-14)10-4-5-12(18-2)11(15)8-10/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyBHYORUHSDQVGRZ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.64
Rot. Bonds6

About N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65183247) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65183247
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C14H17FN2O2/c1-3-16-7-6-14-17-9-13(19-14)10-4-5-12(18-2)11(15)8-10/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyBHYORUHSDQVGRZ-UHFFFAOYSA-N
XLogP2.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183109
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112
2-[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994741
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
2-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82817976
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887121
3-[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186872
3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (CID 65183247) is N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(-c2ccc(OC)c(F)c2)o1.
What is the InChIKey of N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is BHYORUHSDQVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-16-7-6-14-17-9-13(19-14)10-4-5-12(18-2)11(15)8-10/h4-5,8-9,16H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 264.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65183247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).