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

C14H17FN2O — CID 112518620

IUPAC3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(CCc2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN2O/c15-12-6-3-11(4-7-12)5-8-14-17-10-13(18-14)2-1-9-16/h3-4,6-7,10H,1-2,5,8-9,16H2
InChIKeySPYJPEIZCOLLQX-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.49
Rot. Bonds6

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

3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 112518620) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine
PubChem CID112518620
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(CCc2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN2O/c15-12-6-3-11(4-7-12)5-8-14-17-10-13(18-14)2-1-9-16/h3-4,6-7,10H,1-2,5,8-9,16H2
InChIKeySPYJPEIZCOLLQX-UHFFFAOYSA-N
XLogP2.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178534
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
CID 115004084
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115006523
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
2-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84762830
2-[5-(2-aminoethyl)-1,3-oxazol-2-yl]ethanol
CID 115084892
2-(5-propyl-1,3-oxazol-2-yl)ethanamine
CID 65178585
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine (CID 112518620) is 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine is NCCCc1cnc(CCc2ccc(F)cc2)o1.
What is the InChIKey of 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is SPYJPEIZCOLLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-6-3-11(4-7-12)5-8-14-17-10-13(18-14)2-1-9-16/h3-4,6-7,10H,1-2,5,8-9,16H2.
What are the key properties of 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine?
3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 248.30 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-fluorophenyl)ethyl]-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 112518620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).