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

C23H24N4O4 — CID 90416330

IUPAC(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H24N4O4/c1-15(17-7-6-10-19(13-17)31-18-8-4-3-5-9-18)25-22-24-12-11-21(26-22)27-20(16(2)28)14-30-23(27)29/h3-13,15-16,20,28H,14H2,1-2H3,(H,24,25,26)/t15-,16+,20+/m0/s1
InChIKeyAEQXLYPLJRGDNI-RZQQEMMASA-N
MW420.47 g/mol
LogP4.15
Rot. Bonds7

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

(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90416330) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90416330
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H24N4O4/c1-15(17-7-6-10-19(13-17)31-18-8-4-3-5-9-18)25-22-24-12-11-21(26-22)27-20(16(2)28)14-30-23(27)29/h3-13,15-16,20,28H,14H2,1-2H3,(H,24,25,26)/t15-,16+,20+/m0/s1
InChIKeyAEQXLYPLJRGDNI-RZQQEMMASA-N
XLogP4.15
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90416330) is (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is AEQXLYPLJRGDNI-RZQQEMMASA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(17-7-6-10-19(13-17)31-18-8-4-3-5-9-18)25-22-24-12-11-21(26-22)27-20(16(2)28)14-30-23(27)29/h3-13,15-16,20,28H,14H2,1-2H3,(H,24,25,26)/t15-,16+,20+/m0/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 420.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90416330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).