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

C16H21FN2O2 — CID 102885582

IUPAC3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(-c2cnc(CCCNC(C)C)o2)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-11(2)18-8-4-5-16-19-10-15(21-16)13-7-6-12(20-3)9-14(13)17/h6-7,9-11,18H,4-5,8H2,1-3H3
InChIKeyLIWAKAIVWXOAOB-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.42
Rot. Bonds7

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

3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 102885582) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID102885582
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(-c2cnc(CCCNC(C)C)o2)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-11(2)18-8-4-5-16-19-10-15(21-16)13-7-6-12(20-3)9-14(13)17/h6-7,9-11,18H,4-5,8H2,1-3H3
InChIKeyLIWAKAIVWXOAOB-UHFFFAOYSA-N
XLogP3.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.42
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

3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
3-[5-(2,3-difluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65186886
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 102885537
3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 114561201

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 102885582) is 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is COc1ccc(-c2cnc(CCCNC(C)C)o2)c(F)c1.
What is the InChIKey of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is LIWAKAIVWXOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)18-8-4-5-16-19-10-15(21-16)13-7-6-12(20-3)9-14(13)17/h6-7,9-11,18H,4-5,8H2,1-3H3.
What are the key properties of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 292.35 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102885582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).