(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide

C28H23N3O5 — CID 93202011

IUPAC(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
SMILESO=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)Nc2ccccc2)c1)c1ccco1
InChIInChI=1S/C28H23N3O5/c32-26(23-15-8-16-35-23)30-22-14-7-11-20(17-22)25-24(27(33)29-21-12-5-2-6-13-21)31(28(34)36-25)18-19-9-3-1-4-10-19/h1-17,24-25H,18H2,(H,29,33)(H,30,32)/t24-,25-/m1/s1
InChIKeyYQYHCMXRWSLDKW-JWQCQUIFSA-N
MW481.51 g/mol
LogP5.23
Rot. Bonds7

About (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide

(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide (PubChem CID 93202011) has the molecular formula C28H23N3O5 and a molecular weight of 481.51 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
PubChem CID93202011
Molecular FormulaC28H23N3O5
Molecular Weight481.51 g/mol
Exact Mass481.16
IUPAC Name(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
SMILESO=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)Nc2ccccc2)c1)c1ccco1
InChIInChI=1S/C28H23N3O5/c32-26(23-15-8-16-35-23)30-22-14-7-11-20(17-22)25-24(27(33)29-21-12-5-2-6-13-21)31(28(34)36-25)18-19-9-3-1-4-10-19/h1-17,24-25H,18H2,(H,29,33)(H,30,32)/t24-,25-/m1/s1
InChIKeyYQYHCMXRWSLDKW-JWQCQUIFSA-N
XLogP5.23
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide with MolForge

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Related Compounds

3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841008
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216
(4S,5S)-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98414746
(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202146
3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46020953
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202179
(4R,5S)-5-(3-benzamidophenyl)-N-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202509
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841017
3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003
(4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93200806
(4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202076
3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 46021220

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide (CID 93202011) is (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide is O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)Nc2ccccc2)c1)c1ccco1.
What is the InChIKey of (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is YQYHCMXRWSLDKW-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H23N3O5/c32-26(23-15-8-16-35-23)30-22-14-7-11-20(17-22)25-24(27(33)29-21-12-5-2-6-13-21)31(28(34)36-25)18-19-9-3-1-4-10-19/h1-17,24-25H,18H2,(H,29,33)(H,30,32)/t24-,25-/m1/s1.
What are the key properties of (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide?
(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).