(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine

C14H18N2O3 — CID 79027120

IUPAC(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
SMILESCOCc1cc(COc2cccc([C@@H](C)N)c2)no1
InChIInChI=1S/C14H18N2O3/c1-10(15)11-4-3-5-13(6-11)18-8-12-7-14(9-17-2)19-16-12/h3-7,10H,8-9,15H2,1-2H3/t10-/m1/s1
InChIKeyNESAMVODLGFRCB-SNVBAGLBSA-N
MW262.31 g/mol
LogP2.42
Rot. Bonds6

About (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine

(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine (PubChem CID 79027120) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
PubChem CID79027120
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
SMILESCOCc1cc(COc2cccc([C@@H](C)N)c2)no1
InChIInChI=1S/C14H18N2O3/c1-10(15)11-4-3-5-13(6-11)18-8-12-7-14(9-17-2)19-16-12/h3-7,10H,8-9,15H2,1-2H3/t10-/m1/s1
InChIKeyNESAMVODLGFRCB-SNVBAGLBSA-N
XLogP2.42
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66156818
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157222
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
(1R)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 63365604
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine (CID 79027120) is (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine is COCc1cc(COc2cccc([C@@H](C)N)c2)no1.
What is the InChIKey of (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
The InChIKey is NESAMVODLGFRCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(15)11-4-3-5-13(6-11)18-8-12-7-14(9-17-2)19-16-12/h3-7,10H,8-9,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine?
(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine has a molecular weight of 262.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 79027120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).