3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine

C13H17FN2O — CID 115061627

IUPAC3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCC1=NCC(Cc2cccc(F)c2)O1
InChIInChI=1S/C13H17FN2O/c14-11-4-1-3-10(7-11)8-12-9-16-13(17-12)5-2-6-15/h1,3-4,7,12H,2,5-6,8-9,15H2
InChIKeyBECDYRSUXWQSRS-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.90
Rot. Bonds5

About 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine

3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 115061627) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
PubChem CID115061627
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCC1=NCC(Cc2cccc(F)c2)O1
InChIInChI=1S/C13H17FN2O/c14-11-4-1-3-10(7-11)8-12-9-16-13(17-12)5-2-6-15/h1,3-4,7,12H,2,5-6,8-9,15H2
InChIKeyBECDYRSUXWQSRS-UHFFFAOYSA-N
XLogP1.90
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061594
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563
2-[5-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061610
2-[2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 115060848
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060840
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine (CID 115061627) is 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine is NCCCC1=NCC(Cc2cccc(F)c2)O1.
What is the InChIKey of 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is BECDYRSUXWQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-4-1-3-10(7-11)8-12-9-16-13(17-12)5-2-6-15/h1,3-4,7,12H,2,5-6,8-9,15H2.
What are the key properties of 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 236.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 115061627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).