3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C21H20N4O3 — CID 89489973

IUPAC3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N4O3/c1-15(16-7-9-18(10-8-16)28-17-5-3-2-4-6-17)23-20-22-12-11-19(24-20)25-13-14-27-21(25)26/h2-12,15H,13-14H2,1H3,(H,22,23,24)/t15-/m0/s1
InChIKeyDGHSSLQBBFEYBG-HNNXBMFYSA-N
MW376.42 g/mol
LogP4.40
Rot. Bonds6

About 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89489973) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID89489973
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N4O3/c1-15(16-7-9-18(10-8-16)28-17-5-3-2-4-6-17)23-20-22-12-11-19(24-20)25-13-14-27-21(25)26/h2-12,15H,13-14H2,1H3,(H,22,23,24)/t15-/m0/s1
InChIKeyDGHSSLQBBFEYBG-HNNXBMFYSA-N
XLogP4.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89489973) is 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is DGHSSLQBBFEYBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15(16-7-9-18(10-8-16)28-17-5-3-2-4-6-17)23-20-22-12-11-19(24-20)25-13-14-27-21(25)26/h2-12,15H,13-14H2,1H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 376.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).