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

C24H28ClN3O4 — CID 42841307

IUPAC3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
SMILESCC(C)NC(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C24H28ClN3O4/c1-14(2)22(29)27-19-10-6-8-17(12-19)21-20(23(30)26-15(3)4)28(24(31)32-21)13-16-7-5-9-18(25)11-16/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyAOTILCCYHJOARD-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.52
Rot. Bonds7

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

3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 42841307) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
PubChem CID42841307
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
SMILESCC(C)NC(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C24H28ClN3O4/c1-14(2)22(29)27-19-10-6-8-17(12-19)21-20(23(30)26-15(3)4)28(24(31)32-21)13-16-7-5-9-18(25)11-16/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyAOTILCCYHJOARD-UHFFFAOYSA-N
XLogP4.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-3-[(4-methylphenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93202309
(4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93206816
3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841315
(4S,5R)-3-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203006
3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841306
3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414
3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841031
3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840604
3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 46021220
(4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93203030
(4S,5S)-N-[(2S)-butan-2-yl]-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202645
5-[3-(butanoylamino)phenyl]-3-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841343

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 42841307) is 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
The InChIKey is AOTILCCYHJOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-14(2)22(29)27-19-10-6-8-17(12-19)21-20(23(30)26-15(3)4)28(24(31)32-21)13-16-7-5-9-18(25)11-16/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?
3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).