(4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C32H31NO7 — CID 71528617

IUPAC(4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc2oc(C)cc(=O)c2c(OCc2ccccc2)c1C[C@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C32H31NO7/c1-19(31(35)33-21(3)29(40-32(33)36)23-13-9-6-10-14-23)15-24-26(37-4)17-27-28(25(34)16-20(2)39-27)30(24)38-18-22-11-7-5-8-12-22/h5-14,16-17,19,21,29H,15,18H2,1-4H3/t19-,21+,29+/m0/s1
InChIKeyFFWRNHUCLZOKSK-XPXNCJDLSA-N
MW541.60 g/mol
LogP5.98
Rot. Bonds8

About (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 71528617) has the molecular formula C32H31NO7 and a molecular weight of 541.60 g/mol. Its IUPAC name is (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID71528617
Molecular FormulaC32H31NO7
Molecular Weight541.60 g/mol
Exact Mass541.21
IUPAC Name(4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc2oc(C)cc(=O)c2c(OCc2ccccc2)c1C[C@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C32H31NO7/c1-19(31(35)33-21(3)29(40-32(33)36)23-13-9-6-10-14-23)15-24-26(37-4)17-27-28(25(34)16-20(2)39-27)30(24)38-18-22-11-7-5-8-12-22/h5-14,16-17,19,21,29H,15,18H2,1-4H3/t19-,21+,29+/m0/s1
InChIKeyFFWRNHUCLZOKSK-XPXNCJDLSA-N
XLogP5.98
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.60
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

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CID 71602954
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CID 71603074
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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 71528617) is (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is COc1cc2oc(C)cc(=O)c2c(OCc2ccccc2)c1C[C@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FFWRNHUCLZOKSK-XPXNCJDLSA-N. The full InChI is InChI=1S/C32H31NO7/c1-19(31(35)33-21(3)29(40-32(33)36)23-13-9-6-10-14-23)15-24-26(37-4)17-27-28(25(34)16-20(2)39-27)30(24)38-18-22-11-7-5-8-12-22/h5-14,16-17,19,21,29H,15,18H2,1-4H3/t19-,21+,29+/m0/s1.
What are the key properties of (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 541.60 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2S)-3-(7-methoxy-2-methyl-4-oxo-5-phenylmethoxychromen-6-yl)-2-methylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71528617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).