5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one

C19H21NO4 — CID 25174081

IUPAC5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OCCOc3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C19H21NO4/c1-15-13-20(19(21)24-15)14-16-7-9-18(10-8-16)23-12-11-22-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyZQKDNRGCKJUZAQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.49
Rot. Bonds7

About 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one

5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 25174081) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID25174081
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OCCOc3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C19H21NO4/c1-15-13-20(19(21)24-15)14-16-7-9-18(10-8-16)23-12-11-22-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyZQKDNRGCKJUZAQ-UHFFFAOYSA-N
XLogP3.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173287
3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25174001
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 68813968
3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173617
(5R)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591745
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
CID 144657002
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591685
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501464
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 25174081) is 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is CC1CN(Cc2ccc(OCCOc3ccccc3)cc2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZQKDNRGCKJUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-15-13-20(19(21)24-15)14-16-7-9-18(10-8-16)23-12-11-22-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25174081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).