4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine

C23H38N2O2 — CID 14181051

IUPAC4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC2CCN(C(C)Cc3ccc(C(C)(C)C)cc3)O2)CC(C)O1
InChIInChI=1S/C23H38N2O2/c1-17(13-20-7-9-21(10-8-20)23(4,5)6)25-12-11-22(27-25)16-24-14-18(2)26-19(3)15-24/h7-10,17-19,22H,11-16H2,1-6H3
InChIKeyYXLQWZVHGMNDMV-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.03
Rot. Bonds5

About 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine

4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 14181051) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine
PubChem CID14181051
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC2CCN(C(C)Cc3ccc(C(C)(C)C)cc3)O2)CC(C)O1
InChIInChI=1S/C23H38N2O2/c1-17(13-20-7-9-21(10-8-20)23(4,5)6)25-12-11-22(27-25)16-24-14-18(2)26-19(3)15-24/h7-10,17-19,22H,11-16H2,1-6H3
InChIKeyYXLQWZVHGMNDMV-UHFFFAOYSA-N
XLogP4.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine (CID 14181051) is 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine is CC1CN(CC2CCN(C(C)Cc3ccc(C(C)(C)C)cc3)O2)CC(C)O1.
What is the InChIKey of 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is YXLQWZVHGMNDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-17(13-20-7-9-21(10-8-20)23(4,5)6)25-12-11-22(27-25)16-24-14-18(2)26-19(3)15-24/h7-10,17-19,22H,11-16H2,1-6H3.
What are the key properties of 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine?
4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 374.57 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 14181051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).