N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide

C31H34N4O4 — CID 42841221

IUPACN-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
SMILESCc1ccc(CN2C(=O)OC(c3cccc(NC(=O)Cc4ccccc4)c3)C2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C31H34N4O4/c1-22-11-13-24(14-12-22)21-35-28(30(37)34-17-15-33(2)16-18-34)29(39-31(35)38)25-9-6-10-26(20-25)32-27(36)19-23-7-4-3-5-8-23/h3-14,20,28-29H,15-19,21H2,1-2H3,(H,32,36)
InChIKeyHKLNWGWJXVOEMY-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.01
Rot. Bonds7

About N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide

N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide (PubChem CID 42841221) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
PubChem CID42841221
Molecular FormulaC31H34N4O4
Molecular Weight526.64 g/mol
Exact Mass526.26
IUPAC NameN-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
SMILESCc1ccc(CN2C(=O)OC(c3cccc(NC(=O)Cc4ccccc4)c3)C2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C31H34N4O4/c1-22-11-13-24(14-12-22)21-35-28(30(37)34-17-15-33(2)16-18-34)29(39-31(35)38)25-9-6-10-26(20-25)32-27(36)19-23-7-4-3-5-8-23/h3-14,20,28-29H,15-19,21H2,1-2H3,(H,32,36)
InChIKeyHKLNWGWJXVOEMY-UHFFFAOYSA-N
XLogP4.01
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
CID 42841219
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide
CID 42841183
N-[3-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
(4R,5R)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202579
N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 93202303
N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841218
N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide
CID 93202273
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202179
N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93202336
(4S,5R)-N-benzyl-5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202679
3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 46021220
N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021310

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide (CID 42841221) is N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide is Cc1ccc(CN2C(=O)OC(c3cccc(NC(=O)Cc4ccccc4)c3)C2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?
The InChIKey is HKLNWGWJXVOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-22-11-13-24(14-12-22)21-35-28(30(37)34-17-15-33(2)16-18-34)29(39-31(35)38)25-9-6-10-26(20-25)32-27(36)19-23-7-4-3-5-8-23/h3-14,20,28-29H,15-19,21H2,1-2H3,(H,32,36).
What are the key properties of N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide?
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide has a molecular weight of 526.64 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42841221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).