1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine

C14H17FN2O — CID 106224128

IUPAC1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
SMILESCCCC(N)c1cc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C14H17FN2O/c1-3-4-12(16)14-8-13(17-18-14)10-5-6-11(15)9(2)7-10/h5-8,12H,3-4,16H2,1-2H3
InChIKeyFJVCQNJCWVUMQA-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.59
Rot. Bonds4

About 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine

1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine (PubChem CID 106224128) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
PubChem CID106224128
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
SMILESCCCC(N)c1cc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C14H17FN2O/c1-3-4-12(16)14-8-13(17-18-14)10-5-6-11(15)9(2)7-10/h5-8,12H,3-4,16H2,1-2H3
InChIKeyFJVCQNJCWVUMQA-UHFFFAOYSA-N
XLogP3.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-bromo-2-fluorophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160485
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93350969
1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106224117
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
N',N'-diethyl-1-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635568
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
1-[3-(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224350
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223951
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine (CID 106224128) is 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine is CCCC(N)c1cc(-c2ccc(F)c(C)c2)no1.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine?
The InChIKey is FJVCQNJCWVUMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-4-12(16)14-8-13(17-18-14)10-5-6-11(15)9(2)7-10/h5-8,12H,3-4,16H2,1-2H3.
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine?
1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine has a molecular weight of 248.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine is sourced from PubChem (CID 106224128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).