3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one

C19H22F2N2O4 — CID 91013397

IUPAC3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22F2N2O4/c1-2-13-9-23(17(24)27-13)12-7-14(20)16(15(21)8-12)22-10-18(3-4-18)19(11-22)25-5-6-26-19/h7-8,13H,2-6,9-11H2,1H3
InChIKeyMEXVZNRYRMALAG-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.04
Rot. Bonds3

About 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one

3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 91013397) has the molecular formula C19H22F2N2O4 and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID91013397
Molecular FormulaC19H22F2N2O4
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22F2N2O4/c1-2-13-9-23(17(24)27-13)12-7-14(20)16(15(21)8-12)22-10-18(3-4-18)19(11-22)25-5-6-26-19/h7-8,13H,2-6,9-11H2,1H3
InChIKeyMEXVZNRYRMALAG-UHFFFAOYSA-N
XLogP3.04
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one (CID 91013397) is 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is MEXVZNRYRMALAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4/c1-2-13-9-23(17(24)27-13)12-7-14(20)16(15(21)8-12)22-10-18(3-4-18)19(11-22)25-5-6-26-19/h7-8,13H,2-6,9-11H2,1H3.
What are the key properties of 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 380.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 91013397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).