N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide

C26H34N4O7 — CID 24851034

IUPACN-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2C[C@@H]([C@@H]3OC(C)(C)O[C@H]3[C@H]3COC(C)(C)O3)N(Cc3ccccc3)O2)c(=O)n1
InChIInChI=1S/C26H34N4O7/c1-16(31)27-20-11-12-29(24(32)28-20)21-13-18(30(37-21)14-17-9-7-6-8-10-17)22-23(36-26(4,5)35-22)19-15-33-25(2,3)34-19/h6-12,18-19,21-23H,13-15H2,1-5H3,(H,27,28,31,32)/t18-,19+,21+,22-,23-/m0/s1
InChIKeyHXFSSKYLBZRSBU-MXZFZVOGSA-N
MW514.58 g/mol
LogP2.58
Rot. Bonds6

About N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 24851034) has the molecular formula C26H34N4O7 and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID24851034
Molecular FormulaC26H34N4O7
Molecular Weight514.58 g/mol
Exact Mass514.24
IUPAC NameN-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2C[C@@H]([C@@H]3OC(C)(C)O[C@H]3[C@H]3COC(C)(C)O3)N(Cc3ccccc3)O2)c(=O)n1
InChIInChI=1S/C26H34N4O7/c1-16(31)27-20-11-12-29(24(32)28-20)21-13-18(30(37-21)14-17-9-7-6-8-10-17)22-23(36-26(4,5)35-22)19-15-33-25(2,3)34-19/h6-12,18-19,21-23H,13-15H2,1-5H3,(H,27,28,31,32)/t18-,19+,21+,22-,23-/m0/s1
InChIKeyHXFSSKYLBZRSBU-MXZFZVOGSA-N
XLogP2.58
TPSA113.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide with MolForge

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Related Compounds

tert-butyl N-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4-methoxyphenyl)methyl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]carbamate
CID 118049619
[(3aR,6S,7S,7aR)-6-(4-benzamido-2-oxopyrimidin-1-yl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 52916449
N-[2-oxo-1-[(2S,4S)-2-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pyrimidin-4-yl]acetamide
CID 11002465
(1S,2R,6S,7S,8R)-10-benzyl-4,4-dimethyl-3,5,9-trioxa-10-azatricyclo[6.2.1.02,6]undecan-7-ol
CID 139206220
N-[1-[(2R,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 504298
N-[1-[(1S,3R,7R,8R,10R)-5,5-dimethyl-13-phenyl-4,6,9,12,14-pentaoxatricyclo[8.4.0.03,7]tetradecan-8-yl]-2-oxopyrimidin-4-yl]benzamide
CID 58940360
1-benzyl-3-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]urea
CID 59035568
2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-1,2-oxazolidin-5-one
CID 85300293
[(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 688454
N-[1-[(2R,5R)-4-hydroxy-5-(2-oxopropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57135950
[(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-benzoylcarbamate
CID 134930196
N-[2-oxo-1-[(2R,5R)-2-(phenylmethoxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-4-yl]acetamide
CID 11360415

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide (CID 24851034) is N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn([C@H]2C[C@@H]([C@@H]3OC(C)(C)O[C@H]3[C@H]3COC(C)(C)O3)N(Cc3ccccc3)O2)c(=O)n1.
What is the InChIKey of N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is HXFSSKYLBZRSBU-MXZFZVOGSA-N. The full InChI is InChI=1S/C26H34N4O7/c1-16(31)27-20-11-12-29(24(32)28-20)21-13-18(30(37-21)14-17-9-7-6-8-10-17)22-23(36-26(4,5)35-22)19-15-33-25(2,3)34-19/h6-12,18-19,21-23H,13-15H2,1-5H3,(H,27,28,31,32)/t18-,19+,21+,22-,23-/m0/s1.
What are the key properties of N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 514.58 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 24851034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).