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

C15H19FN2O2 — CID 65183109

IUPACN-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C15H19FN2O2/c1-3-7-17-8-6-15-18-10-14(20-15)11-4-5-13(19-2)12(16)9-11/h4-5,9-10,17H,3,6-8H2,1-2H3
InChIKeyQCIAOFDJFVTJLS-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.03
Rot. Bonds7

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

N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183109) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183109
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C15H19FN2O2/c1-3-7-17-8-6-15-18-10-14(20-15)11-4-5-13(19-2)12(16)9-11/h4-5,9-10,17H,3,6-8H2,1-2H3
InChIKeyQCIAOFDJFVTJLS-UHFFFAOYSA-N
XLogP3.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.03
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-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183247
3-[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186872
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183321
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187510
N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81128595
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187028
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
N-[2-[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182962
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183109) is N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2ccc(OC)c(F)c2)o1.
What is the InChIKey of N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QCIAOFDJFVTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-7-17-8-6-15-18-10-14(20-15)11-4-5-13(19-2)12(16)9-11/h4-5,9-10,17H,3,6-8H2,1-2H3.
What are the key properties of N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 278.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).