4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

C25H27N3O5 — CID 23821824

IUPAC4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C25H27N3O5/c1-17-24(18-7-3-2-4-8-18)33-25(31)28(17)19-11-13-26(14-12-19)22(29)15-27-20-9-5-6-10-21(20)32-16-23(27)30/h2-10,17,19,24H,11-16H2,1H3/t17-,24-/m1/s1
InChIKeyJYHUKWHSSAVQNF-MZNJEOGPSA-N
MW449.51 g/mol
LogP2.98
Rot. Bonds4

About 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 23821824) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID23821824
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C25H27N3O5/c1-17-24(18-7-3-2-4-8-18)33-25(31)28(17)19-11-13-26(14-12-19)22(29)15-27-20-9-5-6-10-21(20)32-16-23(27)30/h2-10,17,19,24H,11-16H2,1H3/t17-,24-/m1/s1
InChIKeyJYHUKWHSSAVQNF-MZNJEOGPSA-N
XLogP2.98
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-[2-oxo-2-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 74228595
[2-[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 5004117
4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811548
4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 20968282
(4S,5R)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74225021
1-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136794
N-[2-[4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 74228719
(4S,5R)-3-[1-[2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanylacetyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74227665
4-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 120809461
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 9204510
(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23733118
4-methyl-3-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 4992744

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one (CID 23821824) is 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is JYHUKWHSSAVQNF-MZNJEOGPSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-17-24(18-7-3-2-4-8-18)33-25(31)28(17)19-11-13-26(14-12-19)22(29)15-27-20-9-5-6-10-21(20)32-16-23(27)30/h2-10,17,19,24H,11-16H2,1H3/t17-,24-/m1/s1.
What are the key properties of 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 449.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 23821824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).