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

C8H13FN2O — CID 81106816

IUPAC3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCCCF)no1
InChIInChI=1S/C8H13FN2O/c1-7-5-8(11-12-7)6-10-4-2-3-9/h5,10H,2-4,6H2,1H3
InChIKeyUPMFMJCWTGRYER-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.43
Rot. Bonds5

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

3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine (PubChem CID 81106816) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
PubChem CID81106816
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCCCF)no1
InChIInChI=1S/C8H13FN2O/c1-7-5-8(11-12-7)6-10-4-2-3-9/h5,10H,2-4,6H2,1H3
InChIKeyUPMFMJCWTGRYER-UHFFFAOYSA-N
XLogP1.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butan-1-amine
CID 115513642
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 104562071
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 106437650
1-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210844
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243710
N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 68657090
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416479

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine (CID 81106816) is 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine is Cc1cc(CNCCCF)no1.
What is the InChIKey of 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
The InChIKey is UPMFMJCWTGRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-7-5-8(11-12-7)6-10-4-2-3-9/h5,10H,2-4,6H2,1H3.
What are the key properties of 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine has a molecular weight of 172.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 81106816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).