5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one

C22H25NO4 — CID 19806362

IUPAC5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(CCCC(=O)Cc3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C22H25NO4/c1-26-16-21-15-23(22(25)27-21)19-12-10-17(11-13-19)8-5-9-20(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-16H2,1H3
InChIKeySBXJNLNGTMLROM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.79
Rot. Bonds9

About 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one

5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 19806362) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID19806362
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(CCCC(=O)Cc3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C22H25NO4/c1-26-16-21-15-23(22(25)27-21)19-12-10-17(11-13-19)8-5-9-20(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-16H2,1H3
InChIKeySBXJNLNGTMLROM-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 3061370
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 70051911
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
CID 23371834
[4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl] acetate
CID 54456815
5-benzyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 54588510

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one (CID 19806362) is 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one is COCC1CN(c2ccc(CCCC(=O)Cc3ccccc3)cc2)C(=O)O1.
What is the InChIKey of 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SBXJNLNGTMLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-16-21-15-23(22(25)27-21)19-12-10-17(11-13-19)8-5-9-20(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-16H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one?
5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).