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

C16H21FN2O2 — CID 115955154

IUPACN-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COc2c(F)cccc2CNC(C)(C)C)on1
InChIInChI=1S/C16H21FN2O2/c1-11-8-13(21-19-11)10-20-15-12(6-5-7-14(15)17)9-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKeyODRMGDBJJROHLW-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.59
Rot. Bonds5

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

N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 115955154) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID115955154
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COc2c(F)cccc2CNC(C)(C)C)on1
InChIInChI=1S/C16H21FN2O2/c1-11-8-13(21-19-11)10-20-15-12(6-5-7-14(15)17)9-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKeyODRMGDBJJROHLW-UHFFFAOYSA-N
XLogP3.59
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955214
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 115955154) is N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is Cc1cc(COc2c(F)cccc2CNC(C)(C)C)on1.
What is the InChIKey of N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ODRMGDBJJROHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11-8-13(21-19-11)10-20-15-12(6-5-7-14(15)17)9-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3.
What are the key properties of N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115955154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).