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

C18H19F2N5O4 — CID 59234861

IUPAC(5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C18H19F2N5O4/c19-13-5-11(25-8-12(7-22-23-21)29-16(25)26)6-14(20)15(13)24-9-17(1-2-17)18(10-24)27-3-4-28-18/h5-6,12H,1-4,7-10H2/t12-/m0/s1
InChIKeyOGLMZJRQRRWWBN-LBPRGKRZSA-N
MW407.38 g/mol
LogP2.94
Rot. Bonds4

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

(5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 59234861) has the molecular formula C18H19F2N5O4 and a molecular weight of 407.38 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
PubChem CID59234861
Molecular FormulaC18H19F2N5O4
Molecular Weight407.38 g/mol
Exact Mass407.14
IUPAC Name(5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C18H19F2N5O4/c19-13-5-11(25-8-12(7-22-23-21)29-16(25)26)6-14(20)15(13)24-9-17(1-2-17)18(10-24)27-3-4-28-18/h5-6,12H,1-4,7-10H2/t12-/m0/s1
InChIKeyOGLMZJRQRRWWBN-LBPRGKRZSA-N
XLogP2.94
TPSA100.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one (CID 59234861) is (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is OGLMZJRQRRWWBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19F2N5O4/c19-13-5-11(25-8-12(7-22-23-21)29-16(25)26)6-14(20)15(13)24-9-17(1-2-17)18(10-24)27-3-4-28-18/h5-6,12H,1-4,7-10H2/t12-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 407.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59234861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).