N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide

C27H27FN4O4 — CID 25168987

IUPACN-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(=O)CCc4cccnc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C27H27FN4O4/c1-18(33)30-16-23-17-32(27(35)36-23)22-9-10-24(25(28)13-22)21-7-4-20(5-8-21)15-31-26(34)11-6-19-3-2-12-29-14-19/h2-5,7-10,12-14,23H,6,11,15-17H2,1H3,(H,30,33)(H,31,34)/t23-/m0/s1
InChIKeySPVYPLKURXLGGV-QHCPKHFHSA-N
MW490.54 g/mol
LogP3.60
Rot. Bonds9

About N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide

N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 25168987) has the molecular formula C27H27FN4O4 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID25168987
Molecular FormulaC27H27FN4O4
Molecular Weight490.54 g/mol
Exact Mass490.20
IUPAC NameN-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(=O)CCc4cccnc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C27H27FN4O4/c1-18(33)30-16-23-17-32(27(35)36-23)22-9-10-24(25(28)13-22)21-7-4-20(5-8-21)15-31-26(34)11-6-19-3-2-12-29-14-19/h2-5,7-10,12-14,23H,6,11,15-17H2,1H3,(H,30,33)(H,31,34)/t23-/m0/s1
InChIKeySPVYPLKURXLGGV-QHCPKHFHSA-N
XLogP3.60
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Kx2-361
CID 11545920
N-((S)-3-{4-[(Z)-2-(5-Cyano-pyridin-3-yl)-2-fluoro-vinyl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10272163
N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11271956
N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404000
N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide;2,2,2-trifluoroacetic acid
CID 44536287
N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 44536295
(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-(4-pyridin-1-ium-1-ylphenyl)phenyl]butanamide;2,2,2-trifluoroacetate
CID 45266135
N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide
CID 118735737
methyl N-[4-[5-[(1S)-1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-3-pyridinyl]phenyl]carbamate
CID 127032572
(5R)-3-[3-fluoro-4-(4-pyridin-4-ylphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168290123
N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 9968540
N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10156178

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide (CID 25168987) is N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(=O)CCc4cccnc4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is SPVYPLKURXLGGV-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H27FN4O4/c1-18(33)30-16-23-17-32(27(35)36-23)22-9-10-24(25(28)13-22)21-7-4-20(5-8-21)15-31-26(34)11-6-19-3-2-12-29-14-19/h2-5,7-10,12-14,23H,6,11,15-17H2,1H3,(H,30,33)(H,31,34)/t23-/m0/s1.
What are the key properties of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide?
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 490.54 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 25168987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).