N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline

C15H18FN3O — CID 62435264

IUPACN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1cc(CNC2CC2)no1)c1ccccc1F
InChIInChI=1S/C15H18FN3O/c1-19(15-5-3-2-4-14(15)16)10-13-8-12(18-20-13)9-17-11-6-7-11/h2-5,8,11,17H,6-7,9-10H2,1H3
InChIKeyNBMRLTGVJZPJNF-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.70
Rot. Bonds6

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

N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline (PubChem CID 62435264) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
PubChem CID62435264
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1cc(CNC2CC2)no1)c1ccccc1F
InChIInChI=1S/C15H18FN3O/c1-19(15-5-3-2-4-14(15)16)10-13-8-12(18-20-13)9-17-11-6-7-11/h2-5,8,11,17H,6-7,9-10H2,1H3
InChIKeyNBMRLTGVJZPJNF-UHFFFAOYSA-N
XLogP2.70
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
CID 62429145
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62427363
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyrazin-2-amine
CID 107379625
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
6-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62294639
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline (CID 62435264) is N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline is CN(Cc1cc(CNC2CC2)no1)c1ccccc1F.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is NBMRLTGVJZPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19(15-5-3-2-4-14(15)16)10-13-8-12(18-20-13)9-17-11-6-7-11/h2-5,8,11,17H,6-7,9-10H2,1H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline?
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 275.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 62435264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).