N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide

C21H24N4O3 — CID 47039681

IUPACN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(CN2CCOC2=O)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3/c26-20(24-11-9-23(10-12-24)19-7-2-1-3-8-19)22-18-6-4-5-17(15-18)16-25-13-14-28-21(25)27/h1-8,15H,9-14,16H2,(H,22,26)
InChIKeyJXQQZGKJHAAZNG-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.99
Rot. Bonds4

About N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide

N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 47039681) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
PubChem CID47039681
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(CN2CCOC2=O)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3/c26-20(24-11-9-23(10-12-24)19-7-2-1-3-8-19)22-18-6-4-5-17(15-18)16-25-13-14-28-21(25)27/h1-8,15H,9-14,16H2,(H,22,26)
InChIKeyJXQQZGKJHAAZNG-UHFFFAOYSA-N
XLogP2.99
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 94801412
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 135144227
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 110686871
1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
CID 86830752
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 47039701
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
3-(2,3-dichlorophenyl)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 47042427
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide (CID 47039681) is N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide is O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is JXQQZGKJHAAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(24-11-9-23(10-12-24)19-7-2-1-3-8-19)22-18-6-4-5-17(15-18)16-25-13-14-28-21(25)27/h1-8,15H,9-14,16H2,(H,22,26).
What are the key properties of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide?
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 47039681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).