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

C24H32N4O3 — CID 90349526

IUPAC(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCC3)c2)n1
InChIInChI=1S/C24H32N4O3/c1-16(2)21-15-30-24(29)28(21)22-12-13-25-23(27-22)26-17(3)18-8-7-11-20(14-18)31-19-9-5-4-6-10-19/h7-8,11-14,16-17,19,21H,4-6,9-10,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1
InChIKeyXGEARKOBQVTFDK-LAUBAEHRSA-N
MW424.55 g/mol
LogP5.34
Rot. Bonds7

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

(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90349526) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90349526
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCC3)c2)n1
InChIInChI=1S/C24H32N4O3/c1-16(2)21-15-30-24(29)28(21)22-12-13-25-23(27-22)26-17(3)18-8-7-11-20(14-18)31-19-9-5-4-6-10-19/h7-8,11-14,16-17,19,21H,4-6,9-10,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1
InChIKeyXGEARKOBQVTFDK-LAUBAEHRSA-N
XLogP5.34
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-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 (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90349526) is (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCC3)c2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XGEARKOBQVTFDK-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16(2)21-15-30-24(29)28(21)22-12-13-25-23(27-22)26-17(3)18-8-7-11-20(14-18)31-19-9-5-4-6-10-19/h7-8,11-14,16-17,19,21H,4-6,9-10,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 424.55 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).