[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate

C24H25FN4O6 — CID 118870682

IUPAC[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1OC(=O)N[C@@H]1CON(C2CCOCC2)C1=O
InChIInChI=1S/C24H25FN4O6/c1-12-19(10-17-16-9-14(25)3-4-18(16)27-22(17)30)26-13(2)21(12)35-24(32)28-20-11-34-29(23(20)31)15-5-7-33-8-6-15/h3-4,9-10,15,20,26H,5-8,11H2,1-2H3,(H,27,30)(H,28,32)/b17-10-/t20-/m1/s1
InChIKeyVXYRWXWENTYMGL-PLMLNFJUSA-N
MW484.48 g/mol
LogP2.67
Rot. Bonds4

About [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate

[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (PubChem CID 118870682) has the molecular formula C24H25FN4O6 and a molecular weight of 484.48 g/mol. Its IUPAC name is [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.

Molecular Properties

Compound Name[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
PubChem CID118870682
Molecular FormulaC24H25FN4O6
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1OC(=O)N[C@@H]1CON(C2CCOCC2)C1=O
InChIInChI=1S/C24H25FN4O6/c1-12-19(10-17-16-9-14(25)3-4-18(16)27-22(17)30)26-13(2)21(12)35-24(32)28-20-11-34-29(23(20)31)15-5-7-33-8-6-15/h3-4,9-10,15,20,26H,5-8,11H2,1-2H3,(H,27,30)(H,28,32)/b17-10-/t20-/m1/s1
InChIKeyVXYRWXWENTYMGL-PLMLNFJUSA-N
XLogP2.67
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The IUPAC name of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (CID 118870682) is [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.
What is the SMILES notation for [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The canonical SMILES for [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1OC(=O)N[C@@H]1CON(C2CCOCC2)C1=O.
What is the InChIKey of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The InChIKey is VXYRWXWENTYMGL-PLMLNFJUSA-N. The full InChI is InChI=1S/C24H25FN4O6/c1-12-19(10-17-16-9-14(25)3-4-18(16)27-22(17)30)26-13(2)21(12)35-24(32)28-20-11-34-29(23(20)31)15-5-7-33-8-6-15/h3-4,9-10,15,20,26H,5-8,11H2,1-2H3,(H,27,30)(H,28,32)/b17-10-/t20-/m1/s1.
What are the key properties of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate has a molecular weight of 484.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is sourced from PubChem (CID 118870682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).