(5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C25H28FN7O3 — CID 11511561

IUPAC(5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCCCCNC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C25H28FN7O3/c1-2-3-8-27-14-19-12-24(30-36-19)23-7-4-17(13-28-23)21-6-5-18(11-22(21)26)33-16-20(35-25(33)34)15-32-10-9-29-31-32/h4-7,9-11,13,19-20,27H,2-3,8,12,14-16H2,1H3/t19-,20-/m0/s1
InChIKeyISLLQAJODZSRAX-PMACEKPBSA-N
MW493.54 g/mol
LogP3.39
Rot. Bonds10

About (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11511561) has the molecular formula C25H28FN7O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11511561
Molecular FormulaC25H28FN7O3
Molecular Weight493.54 g/mol
Exact Mass493.22
IUPAC Name(5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCCCCNC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C25H28FN7O3/c1-2-3-8-27-14-19-12-24(30-36-19)23-7-4-17(13-28-23)21-6-5-18(11-22(21)26)33-16-20(35-25(33)34)15-32-10-9-29-31-32/h4-7,9-11,13,19-20,27H,2-3,8,12,14-16H2,1H3/t19-,20-/m0/s1
InChIKeyISLLQAJODZSRAX-PMACEKPBSA-N
XLogP3.39
TPSA106.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
8-(4-pyridin-3-yltriazol-1-yl)octyl N-(2-phenylphenyl)carbamate
CID 86305971
7-(4-pyridin-3-yltriazol-1-yl)heptyl N-(2-phenylphenyl)carbamate
CID 86305972
AM-7359 free base
CID 9549079
(5R)-3-(3-fluoro-4-{6-[(1R)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11603378
(5R)-3-{3-Fluoro-4-[6-(1-hydroxy-1-methylethyl)pyridin-3-yl]phenyl}-5-(1-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11668415
(5R)-3-(3-fluoro-4-{6-[(1S)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624703
(5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626439
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477479
(5R)-3-{3-fluoro-4-[6-(methoxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626435
(5R)-3-(3-fluoro-4-{6-[(1R)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626436
(5R)-3-(3-fluoro-4-{6-[(1S)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11511561) is (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CCCCNC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.
What is the InChIKey of (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ISLLQAJODZSRAX-PMACEKPBSA-N. The full InChI is InChI=1S/C25H28FN7O3/c1-2-3-8-27-14-19-12-24(30-36-19)23-7-4-17(13-28-23)21-6-5-18(11-22(21)26)33-16-20(35-25(33)34)15-32-10-9-29-31-32/h4-7,9-11,13,19-20,27H,2-3,8,12,14-16H2,1H3/t19-,20-/m0/s1.
What are the key properties of (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 493.54 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-[(5S)-5-(butylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11511561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).