4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

C22H33N3O4 — CID 67314038

IUPAC4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESCC(C)(C)CC(C)(C)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C22H33N3O4/c1-21(2,3)15-22(4,5)23-12-18-13-25(20(27)29-18)17-8-6-16(7-9-17)24-10-11-28-14-19(24)26/h6-9,18,23H,10-15H2,1-5H3/t18-/m0/s1
InChIKeyMPQBJVXOQMSTFI-SFHVURJKSA-N
MW403.52 g/mol
LogP3.18
Rot. Bonds6

About 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (PubChem CID 67314038) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
PubChem CID67314038
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESCC(C)(C)CC(C)(C)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C22H33N3O4/c1-21(2,3)15-22(4,5)23-12-18-13-25(20(27)29-18)17-8-6-16(7-9-17)24-10-11-28-14-19(24)26/h6-9,18,23H,10-15H2,1-5H3/t18-/m0/s1
InChIKeyMPQBJVXOQMSTFI-SFHVURJKSA-N
XLogP3.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[5-[(benzylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 71272776
4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 21027199
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
4-[4-[(5S)-2-oxo-5-(3-phenylpropyl)-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 158701330
N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide
CID 175417940
4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 54766841
benzyl N-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamate
CID 139419850
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 78155057

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (CID 67314038) is 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is CC(C)(C)CC(C)(C)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1.
What is the InChIKey of 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The InChIKey is MPQBJVXOQMSTFI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-21(2,3)15-22(4,5)23-12-18-13-25(20(27)29-18)17-8-6-16(7-9-17)24-10-11-28-14-19(24)26/h6-9,18,23H,10-15H2,1-5H3/t18-/m0/s1.
What are the key properties of 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one has a molecular weight of 403.52 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 4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 67314038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).