(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C20H24FN5O4 — CID 70883889

IUPAC(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cnnn1C[C@H]1CN(c2ccc(N3CCC4(CC3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN5O4/c1-14-11-22-23-26(14)13-16-12-25(19(27)30-16)15-2-3-18(17(21)10-15)24-6-4-20(5-7-24)28-8-9-29-20/h2-3,10-11,16H,4-9,12-13H2,1H3/t16-/m1/s1
InChIKeyMEYADWOLHFEMAY-MRXNPFEDSA-N
MW417.44 g/mol
LogP2.09
Rot. Bonds4

About (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 70883889) has the molecular formula C20H24FN5O4 and a molecular weight of 417.44 g/mol. Its IUPAC name is (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID70883889
Molecular FormulaC20H24FN5O4
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cnnn1C[C@H]1CN(c2ccc(N3CCC4(CC3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN5O4/c1-14-11-22-23-26(14)13-16-12-25(19(27)30-16)15-2-3-18(17(21)10-15)24-6-4-20(5-7-24)28-8-9-29-20/h2-3,10-11,16H,4-9,12-13H2,1H3/t16-/m1/s1
InChIKeyMEYADWOLHFEMAY-MRXNPFEDSA-N
XLogP2.09
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10179280
1-[[(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxamide
CID 59363273
[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfinate
CID 143058308
N-[1-[[(5S)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]formamide
CID 87542207
1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441531
(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 71182943
[(5R)-3-[4-(6,6-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 59754043
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(5-methylimidazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22996135
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 70883889) is (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cnnn1C[C@H]1CN(c2ccc(N3CCC4(CC3)OCCO4)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MEYADWOLHFEMAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FN5O4/c1-14-11-22-23-26(14)13-16-12-25(19(27)30-16)15-2-3-18(17(21)10-15)24-6-4-20(5-7-24)28-8-9-29-20/h2-3,10-11,16H,4-9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 417.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70883889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).