5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one

C15H22N2O3 — CID 63326915

IUPAC5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CNC(=O)O2)c(CNC(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-7-12-6-11(3)4-5-14(12)19-9-13-8-17-15(18)20-13/h4-6,10,13,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyNJJAWSLCEJYFEP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.98
Rot. Bonds6

About 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 63326915) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID63326915
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CNC(=O)O2)c(CNC(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-7-12-6-11(3)4-5-14(12)19-9-13-8-17-15(18)20-13/h4-6,10,13,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyNJJAWSLCEJYFEP-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 78936648
5-[[2-[1-(ethylamino)ethyl]-5-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 63640817
N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133215
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107696499
5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496496
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 63326915) is 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one is Cc1ccc(OCC2CNC(=O)O2)c(CNC(C)C)c1.
What is the InChIKey of 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NJJAWSLCEJYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)16-7-12-6-11(3)4-5-14(12)19-9-13-8-17-15(18)20-13/h4-6,10,13,16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 63326915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).