N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide

C28H28FN3O4 — CID 6482341

IUPACN-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2ccc(N3CCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C28H28FN3O4/c29-24-16-22(9-10-25(24)31-13-3-4-14-31)32-18-23(36-28(32)35)17-30-27(34)12-11-26(33)21-8-7-19-5-1-2-6-20(19)15-21/h1-2,5-10,15-16,23H,3-4,11-14,17-18H2,(H,30,34)/t23-/m0/s1
InChIKeyCZVWXEFJWLJVCQ-QHCPKHFHSA-N
MW489.55 g/mol
LogP4.68
Rot. Bonds8

About N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide

N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 6482341) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID6482341
Molecular FormulaC28H28FN3O4
Molecular Weight489.55 g/mol
Exact Mass489.21
IUPAC NameN-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2ccc(N3CCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C28H28FN3O4/c29-24-16-22(9-10-25(24)31-13-3-4-14-31)32-18-23(36-28(32)35)17-30-27(34)12-11-26(33)21-8-7-19-5-1-2-6-20(19)15-21/h1-2,5-10,15-16,23H,3-4,11-14,17-18H2,(H,30,34)/t23-/m0/s1
InChIKeyCZVWXEFJWLJVCQ-QHCPKHFHSA-N
XLogP4.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide (CID 6482341) is N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide is O=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2ccc(N3CCCC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is CZVWXEFJWLJVCQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H28FN3O4/c29-24-16-22(9-10-25(24)31-13-3-4-14-31)32-18-23(36-28(32)35)17-30-27(34)12-11-26(33)21-8-7-19-5-1-2-6-20(19)15-21/h1-2,5-10,15-16,23H,3-4,11-14,17-18H2,(H,30,34)/t23-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 489.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 6482341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).