N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C27H34N4O4 — CID 14987787

IUPACN-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)C(C)CN4CCN(C)CC4)cc3)cc2)C(=O)O1
InChIInChI=1S/C27H34N4O4/c1-19(17-30-14-12-29(3)13-15-30)26(33)23-6-4-21(5-7-23)22-8-10-24(11-9-22)31-18-25(35-27(31)34)16-28-20(2)32/h4-11,19,25H,12-18H2,1-3H3,(H,28,32)/t19?,25-/m0/s1
InChIKeyWPCRIAKFCAMGEY-BIAFCPFJSA-N
MW478.59 g/mol
LogP2.88
Rot. Bonds8

About N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14987787) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14987787
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)C(C)CN4CCN(C)CC4)cc3)cc2)C(=O)O1
InChIInChI=1S/C27H34N4O4/c1-19(17-30-14-12-29(3)13-15-30)26(33)23-6-4-21(5-7-23)22-8-10-24(11-9-22)31-18-25(35-27(31)34)16-28-20(2)32/h4-11,19,25H,12-18H2,1-3H3,(H,28,32)/t19?,25-/m0/s1
InChIKeyWPCRIAKFCAMGEY-BIAFCPFJSA-N
XLogP2.88
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987786
N-[[(5S)-3-[4-[4-[[(4-methylpiperazin-1-yl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987773
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
N-[[2-oxo-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987746
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938793
N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987758

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14987787) is N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)C(C)CN4CCN(C)CC4)cc3)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WPCRIAKFCAMGEY-BIAFCPFJSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-19(17-30-14-12-29(3)13-15-30)26(33)23-6-4-21(5-7-23)22-8-10-24(11-9-22)31-18-25(35-27(31)34)16-28-20(2)32/h4-11,19,25H,12-18H2,1-3H3,(H,28,32)/t19?,25-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 478.59 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propanoyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14987787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).