3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline

C20H22N2O2 — CID 99817504

IUPAC3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
SMILESCO[C@H](C)c1cccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H22N2O2/c1-14(22-18-11-7-10-17(12-18)15(2)23-3)20-21-13-19(24-20)16-8-5-4-6-9-16/h4-15,22H,1-3H3/t14-,15-/m1/s1
InChIKeyRGNNINFTNHBPEI-HUUCEWRRSA-N
MW322.41 g/mol
LogP5.22
Rot. Bonds6

About 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline

3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline (PubChem CID 99817504) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
PubChem CID99817504
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
SMILESCO[C@H](C)c1cccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H22N2O2/c1-14(22-18-11-7-10-17(12-18)15(2)23-3)20-21-13-19(24-20)16-8-5-4-6-9-16/h4-15,22H,1-3H3/t14-,15-/m1/s1
InChIKeyRGNNINFTNHBPEI-HUUCEWRRSA-N
XLogP5.22
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline?
The IUPAC name of 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline (CID 99817504) is 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline is CO[C@H](C)c1cccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline?
The InChIKey is RGNNINFTNHBPEI-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(22-18-11-7-10-17(12-18)15(2)23-3)20-21-13-19(24-20)16-8-5-4-6-9-16/h4-15,22H,1-3H3/t14-,15-/m1/s1.
What are the key properties of 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline?
3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline has a molecular weight of 322.41 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline is sourced from PubChem (CID 99817504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).