[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid

C19H21FN4O6 — CID 155319483

IUPAC[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
SMILESO=C(O)NC[C@H]1CN(c2ccc(N3C[C@H]4NC(=O)O[C@@]4(C4CC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H21FN4O6/c20-13-5-11(24-7-12(29-18(24)28)6-21-16(25)26)3-4-14(13)23-8-15-19(9-23,10-1-2-10)30-17(27)22-15/h3-5,10,12,15,21H,1-2,6-9H2,(H,22,27)(H,25,26)/t12-,15+,19+/m0/s1
InChIKeyPFRYKPMTVJGEJW-IOHHAYIISA-N
MW420.40 g/mol
LogP1.50
Rot. Bonds5

About [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid

[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid (PubChem CID 155319483) has the molecular formula C19H21FN4O6 and a molecular weight of 420.40 g/mol. Its IUPAC name is [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
PubChem CID155319483
Molecular FormulaC19H21FN4O6
Molecular Weight420.40 g/mol
Exact Mass420.14
IUPAC Name[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
SMILESO=C(O)NC[C@H]1CN(c2ccc(N3C[C@H]4NC(=O)O[C@@]4(C4CC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H21FN4O6/c20-13-5-11(24-7-12(29-18(24)28)6-21-16(25)26)3-4-14(13)23-8-15-19(9-23,10-1-2-10)30-17(27)22-15/h3-5,10,12,15,21H,1-2,6-9H2,(H,22,27)(H,25,26)/t12-,15+,19+/m0/s1
InChIKeyPFRYKPMTVJGEJW-IOHHAYIISA-N
XLogP1.50
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid with MolForge

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Related Compounds

[3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 126483798
N-[[3-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67692426
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-(3a,6a-dimethyl-2-oxo-1,3,4,6-tetrahydropyrrolo[3,4-d]imidazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155725001
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913043
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
methyl N-[[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 126494437

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The IUPAC name of [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid (CID 155319483) is [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid.
What is the SMILES notation for [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The canonical SMILES for [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid is O=C(O)NC[C@H]1CN(c2ccc(N3C[C@H]4NC(=O)O[C@@]4(C4CC4)C3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The InChIKey is PFRYKPMTVJGEJW-IOHHAYIISA-N. The full InChI is InChI=1S/C19H21FN4O6/c20-13-5-11(24-7-12(29-18(24)28)6-21-16(25)26)3-4-14(13)23-8-15-19(9-23,10-1-2-10)30-17(27)22-15/h3-5,10,12,15,21H,1-2,6-9H2,(H,22,27)(H,25,26)/t12-,15+,19+/m0/s1.
What are the key properties of [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid has a molecular weight of 420.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid is sourced from PubChem (CID 155319483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).