(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine

C20H21FN2O2 — CID 100706017

IUPAC(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine
SMILESCOC[C@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c1-24-14-19(15-5-3-2-4-6-15)22-12-11-18-13-25-20(23-18)16-7-9-17(21)10-8-16/h2-10,13,19,22H,11-12,14H2,1H3/t19-/m0/s1
InChIKeyAWIJRQAEDGCWHS-IBGZPJMESA-N
MW340.40 g/mol
LogP4.00
Rot. Bonds8

About (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine

(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine (PubChem CID 100706017) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine
PubChem CID100706017
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine
SMILESCOC[C@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c1-24-14-19(15-5-3-2-4-6-15)22-12-11-18-13-25-20(23-18)16-7-9-17(21)10-8-16/h2-10,13,19,22H,11-12,14H2,1H3/t19-/m0/s1
InChIKeyAWIJRQAEDGCWHS-IBGZPJMESA-N
XLogP4.00
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235209
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 111417533
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110941717
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(3-hydroxy-3-phenylpropyl)guanidine
CID 111665832
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
CID 56677220
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216072
4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
CID 120591332
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112812779

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine (CID 100706017) is (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine is COC[C@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine?
The InChIKey is AWIJRQAEDGCWHS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-24-14-19(15-5-3-2-4-6-15)22-12-11-18-13-25-20(23-18)16-7-9-17(21)10-8-16/h2-10,13,19,22H,11-12,14H2,1H3/t19-/m0/s1.
What are the key properties of (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine?
(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine has a molecular weight of 340.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 100706017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).