4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C34H46FN3O5 — CID 69316463

IUPAC4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)COC(c1ccccc1)N1C(=O)OC2(CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)C1Cc1ccc(F)cc1
InChIInChI=1S/C34H46FN3O5/c1-24(2)22-41-31(27-9-6-5-7-10-27)38-30(21-26-11-13-28(35)14-12-26)34(43-33(38)40)15-19-36(20-16-34)17-8-18-37-29(25(3)4)23-42-32(37)39/h5-7,9-14,24-25,29-31H,8,15-23H2,1-4H3/t29-,30?,31?/m1/s1
InChIKeyVFGZUIVLRPZRCS-QCKVGYCISA-N
MW595.76 g/mol
LogP6.26
Rot. Bonds12

About 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 69316463) has the molecular formula C34H46FN3O5 and a molecular weight of 595.76 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID69316463
Molecular FormulaC34H46FN3O5
Molecular Weight595.76 g/mol
Exact Mass595.34
IUPAC Name4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)COC(c1ccccc1)N1C(=O)OC2(CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)C1Cc1ccc(F)cc1
InChIInChI=1S/C34H46FN3O5/c1-24(2)22-41-31(27-9-6-5-7-10-27)38-30(21-26-11-13-28(35)14-12-26)34(43-33(38)40)15-19-36(20-16-34)17-8-18-37-29(25(3)4)23-42-32(37)39/h5-7,9-14,24-25,29-31H,8,15-23H2,1-4H3/t29-,30?,31?/m1/s1
InChIKeyVFGZUIVLRPZRCS-QCKVGYCISA-N
XLogP6.26
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.76
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 69316463) is 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)COC(c1ccccc1)N1C(=O)OC2(CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)C1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VFGZUIVLRPZRCS-QCKVGYCISA-N. The full InChI is InChI=1S/C34H46FN3O5/c1-24(2)22-41-31(27-9-6-5-7-10-27)38-30(21-26-11-13-28(35)14-12-26)34(43-33(38)40)15-19-36(20-16-34)17-8-18-37-29(25(3)4)23-42-32(37)39/h5-7,9-14,24-25,29-31H,8,15-23H2,1-4H3/t29-,30?,31?/m1/s1.
What are the key properties of 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 595.76 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-3-[2-methylpropoxy(phenyl)methyl]-8-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 69316463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).