(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H25N5O3 — CID 89489989

IUPAC(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)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)c2ccc(Oc3ccccc3)nc2)n1
InChIInChI=1S/C23H25N5O3/c1-15(2)19-14-30-23(29)28(19)20-11-12-24-22(27-20)26-16(3)17-9-10-21(25-13-17)31-18-7-5-4-6-8-18/h4-13,15-16,19H,14H2,1-3H3,(H,24,26,27)/t16-,19+/m0/s1
InChIKeyQEXZZPPSSCQUJE-QFBILLFUSA-N
MW419.49 g/mol
LogP4.82
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489989) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489989
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)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)c2ccc(Oc3ccccc3)nc2)n1
InChIInChI=1S/C23H25N5O3/c1-15(2)19-14-30-23(29)28(19)20-11-12-24-22(27-20)26-16(3)17-9-10-21(25-13-17)31-18-7-5-4-6-8-18/h4-13,15-16,19H,14H2,1-3H3,(H,24,26,27)/t16-,19+/m0/s1
InChIKeyQEXZZPPSSCQUJE-QFBILLFUSA-N
XLogP4.82
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)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-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489989) is (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)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-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)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)c2ccc(Oc3ccccc3)nc2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QEXZZPPSSCQUJE-QFBILLFUSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15(2)19-14-30-23(29)28(19)20-11-12-24-22(27-20)26-16(3)17-9-10-21(25-13-17)31-18-7-5-4-6-8-18/h4-13,15-16,19H,14H2,1-3H3,(H,24,26,27)/t16-,19+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 419.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).