5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one

C15H21ClN2O3 — CID 115954681

IUPAC5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)NCc1cccc(Cl)c1OCC1CNC(=O)O1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)18-7-10-5-4-6-12(16)13(10)20-9-11-8-17-14(19)21-11/h4-6,11,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyJWLDVFPXJOPPBB-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.72
Rot. Bonds5

About 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 115954681) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID115954681
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)NCc1cccc(Cl)c1OCC1CNC(=O)O1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)18-7-10-5-4-6-12(16)13(10)20-9-11-8-17-14(19)21-11/h4-6,11,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyJWLDVFPXJOPPBB-UHFFFAOYSA-N
XLogP2.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954695
3-chloro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 112612064
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889826
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889428
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 54929992
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
CID 66849130
CID 66849130

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one (CID 115954681) is 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one is CC(C)(C)NCc1cccc(Cl)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is JWLDVFPXJOPPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,3)18-7-10-5-4-6-12(16)13(10)20-9-11-8-17-14(19)21-11/h4-6,11,18H,7-9H2,1-3H3,(H,17,19).
What are the key properties of 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 312.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115954681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).