(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C21H19FN4O4 — CID 11395762

IUPAC(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESNC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C21H19FN4O4/c22-17-9-14(26-11-15(30-20(26)27)12-28-19-5-8-29-25-19)2-3-16(17)13-1-4-18(24-10-13)21(23)6-7-21/h1-5,8-10,15H,6-7,11-12,23H2/t15-/m1/s1
InChIKeyBSXYQLQJHVRPHM-OAHLLOKOSA-N
MW410.41 g/mol
LogP3.23
Rot. Bonds6

About (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11395762) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID11395762
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESNC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C21H19FN4O4/c22-17-9-14(26-11-15(30-20(26)27)12-28-19-5-8-29-25-19)2-3-16(17)13-1-4-18(24-10-13)21(23)6-7-21/h1-5,8-10,15H,6-7,11-12,23H2/t15-/m1/s1
InChIKeyBSXYQLQJHVRPHM-OAHLLOKOSA-N
XLogP3.23
TPSA103.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 11395762) is (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is NC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1.
What is the InChIKey of (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is BSXYQLQJHVRPHM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-17-9-14(26-11-15(30-20(26)27)12-28-19-5-8-29-25-19)2-3-16(17)13-1-4-18(24-10-13)21(23)6-7-21/h1-5,8-10,15H,6-7,11-12,23H2/t15-/m1/s1.
What are the key properties of (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 410.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11395762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).