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

C26H32N4O4 — CID 42841183

IUPACN-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C26H32N4O4/c1-4-22(31)27-21-7-5-6-20(16-21)24-23(25(32)29-14-12-28(3)13-15-29)30(26(33)34-24)17-19-10-8-18(2)9-11-19/h5-11,16,23-24H,4,12-15,17H2,1-3H3,(H,27,31)
InChIKeyRQYZVNDPUBJOAD-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.18
Rot. Bonds6

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

N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide (PubChem CID 42841183) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 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]propanamide.

Molecular Properties

Compound NameN-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide
PubChem CID42841183
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C26H32N4O4/c1-4-22(31)27-21-7-5-6-20(16-21)24-23(25(32)29-14-12-28(3)13-15-29)30(26(33)34-24)17-19-10-8-18(2)9-11-19/h5-11,16,23-24H,4,12-15,17H2,1-3H3,(H,27,31)
InChIKeyRQYZVNDPUBJOAD-UHFFFAOYSA-N
XLogP3.18
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
CID 42841221
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-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021310
N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 93202303
(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202485
3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021307
(4S,5S)-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202447
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
3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841179
N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841177
(4S,5S)-3-[(4-methylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202483

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]propanamide?
The IUPAC name of N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide (CID 42841183) is N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide.
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]propanamide?
The canonical SMILES for N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide?
The InChIKey is RQYZVNDPUBJOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-22(31)27-21-7-5-6-20(16-21)24-23(25(32)29-14-12-28(3)13-15-29)30(26(33)34-24)17-19-10-8-18(2)9-11-19/h5-11,16,23-24H,4,12-15,17H2,1-3H3,(H,27,31).
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]propanamide?
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide has a molecular weight of 464.57 g/mol, XLogP of 3.18, 6 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]propanamide is sourced from PubChem (CID 42841183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).