1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine

C12H13FN2O2 — CID 107686603

IUPAC1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccno2)c(F)c1
InChIInChI=1S/C12H13FN2O2/c1-14-7-9-2-3-12(11(13)6-9)16-8-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3
InChIKeyUEOFYIHCINLYNW-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.11
Rot. Bonds5

About 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 107686603) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID107686603
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccno2)c(F)c1
InChIInChI=1S/C12H13FN2O2/c1-14-7-9-2-3-12(11(13)6-9)16-8-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3
InChIKeyUEOFYIHCINLYNW-UHFFFAOYSA-N
XLogP2.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689166
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415514
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60882439
N-methyl-1-[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 60889775
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60882032
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine (CID 107686603) is 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccno2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is UEOFYIHCINLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-14-7-9-2-3-12(11(13)6-9)16-8-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 236.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107686603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).