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

C19H29NO5 — CID 13273019

IUPAC3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)OCCOCc1ccc(OCC2CN(C(C)C)C(=O)O2)cc1
InChIInChI=1S/C19H29NO5/c1-14(2)20-11-18(25-19(20)21)13-24-17-7-5-16(6-8-17)12-22-9-10-23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyMRVDGKFQFYHDHX-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.24
Rot. Bonds10

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

3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 13273019) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID13273019
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)OCCOCc1ccc(OCC2CN(C(C)C)C(=O)O2)cc1
InChIInChI=1S/C19H29NO5/c1-14(2)20-11-18(25-19(20)21)13-24-17-7-5-16(6-8-17)12-22-9-10-23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyMRVDGKFQFYHDHX-UHFFFAOYSA-N
XLogP3.24
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 13273019) is 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is CC(C)OCCOCc1ccc(OCC2CN(C(C)C)C(=O)O2)cc1.
What is the InChIKey of 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is MRVDGKFQFYHDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-14(2)20-11-18(25-19(20)21)13-24-17-7-5-16(6-8-17)12-22-9-10-23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 351.44 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 13273019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).