N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine

C16H21FN2O2 — CID 63065346

IUPACN-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCc1cc(C)no1
InChIInChI=1S/C16H21FN2O2/c1-4-7-18-12(3)15-6-5-13(17)9-16(15)20-10-14-8-11(2)19-21-14/h5-6,8-9,12,18H,4,7,10H2,1-3H3
InChIKeyFMGIKFSLDUNAAC-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.76
Rot. Bonds7

About N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 63065346) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID63065346
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCc1cc(C)no1
InChIInChI=1S/C16H21FN2O2/c1-4-7-18-12(3)15-6-5-13(17)9-16(15)20-10-14-8-11(2)19-21-14/h5-6,8-9,12,18H,4,7,10H2,1-3H3
InChIKeyFMGIKFSLDUNAAC-UHFFFAOYSA-N
XLogP3.76
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 55148614
N-ethyl-1-[4-methoxy-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 82000944
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 66140310
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 63065346) is N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(F)cc1OCc1cc(C)no1.
What is the InChIKey of N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is FMGIKFSLDUNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-7-18-12(3)15-6-5-13(17)9-16(15)20-10-14-8-11(2)19-21-14/h5-6,8-9,12,18H,4,7,10H2,1-3H3.
What are the key properties of N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 292.35 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63065346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).