3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide

C24H28FN3O4 — CID 42840604

IUPAC3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
SMILESCC(C)NC(=O)C1C(c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H28FN3O4/c1-14(2)22(29)27-19-11-7-17(8-12-19)21-20(23(30)26-15(3)4)28(24(31)32-21)13-16-5-9-18(25)10-6-16/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyDZQULRCWDDDPDS-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.01
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide

3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 42840604) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
PubChem CID42840604
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
SMILESCC(C)NC(=O)C1C(c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H28FN3O4/c1-14(2)22(29)27-19-11-7-17(8-12-19)21-20(23(30)26-15(3)4)28(24(31)32-21)13-16-5-9-18(25)10-6-16/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyDZQULRCWDDDPDS-UHFFFAOYSA-N
XLogP4.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414
5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841241
(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,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93200965
(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
(4S,5R)-3-benzyl-N-(3-fluorophenyl)-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201055
(4R,5S)-3-[(4-methylphenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93202309
3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841307
(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93200917
(4R,5R)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93200914
(4S,5R)-3-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203006

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 42840604) is 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)C1C(c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
The InChIKey is DZQULRCWDDDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-14(2)22(29)27-19-11-7-17(8-12-19)21-20(23(30)26-15(3)4)28(24(31)32-21)13-16-5-9-18(25)10-6-16/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).