(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C23H24FN3O4 — CID 93200917

IUPAC(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCCC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C23H24FN3O4/c1-2-19(28)25-17-9-5-15(6-10-17)21-20(22(29)26-18-11-12-18)27(23(30)31-21)13-14-3-7-16(24)8-4-14/h3-10,18,20-21H,2,11-13H2,1H3,(H,25,28)(H,26,29)/t20-,21-/m0/s1
InChIKeyVDBPTNNMAGBLMZ-SFTDATJTSA-N
MW425.46 g/mol
LogP3.51
Rot. Bonds7

About (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 93200917) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID93200917
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCCC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C23H24FN3O4/c1-2-19(28)25-17-9-5-15(6-10-17)21-20(22(29)26-18-11-12-18)27(23(30)31-21)13-14-3-7-16(24)8-4-14/h3-10,18,20-21H,2,11-13H2,1H3,(H,25,28)(H,26,29)/t20-,21-/m0/s1
InChIKeyVDBPTNNMAGBLMZ-SFTDATJTSA-N
XLogP3.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93200914
5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840936
5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021057
N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841433
3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840604
(4R,5S)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-N-[(1S)-1-phenylethyl]-1,3-oxazolidine-4-carboxamide
CID 98422904
(4S,5R)-N-[(2S)-butan-2-yl]-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 99768539
(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93200773
5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840798
(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
5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841241
5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841230

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 93200917) is (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CCC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC2CC2)cc1.
What is the InChIKey of (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is VDBPTNNMAGBLMZ-SFTDATJTSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-2-19(28)25-17-9-5-15(6-10-17)21-20(22(29)26-18-11-12-18)27(23(30)31-21)13-14-3-7-16(24)8-4-14/h3-10,18,20-21H,2,11-13H2,1H3,(H,25,28)(H,26,29)/t20-,21-/m0/s1.
What are the key properties of (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93200917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).