[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate

C24H23N3O6 — CID 155887060

IUPAC[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2CCC(n3ccc(NC(=O)c4ccccc4)nc3=O)O2)cc1
InChIInChI=1S/C24H23N3O6/c1-31-18-9-7-17(8-10-18)23(29)32-15-19-11-12-21(33-19)27-14-13-20(26-24(27)30)25-22(28)16-5-3-2-4-6-16/h2-10,13-14,19,21H,11-12,15H2,1H3,(H,25,26,28,30)
InChIKeyWNQFXLNNTCLNDZ-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.04
Rot. Bonds7

About [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate

[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate (PubChem CID 155887060) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate.

Molecular Properties

Compound Name[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate
PubChem CID155887060
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2CCC(n3ccc(NC(=O)c4ccccc4)nc3=O)O2)cc1
InChIInChI=1S/C24H23N3O6/c1-31-18-9-7-17(8-10-18)23(29)32-15-19-11-12-21(33-19)27-14-13-20(26-24(27)30)25-22(28)16-5-3-2-4-6-16/h2-10,13-14,19,21H,11-12,15H2,1H3,(H,25,26,28,30)
InChIKeyWNQFXLNNTCLNDZ-UHFFFAOYSA-N
XLogP3.04
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
[(2S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,3-difluorooxolan-2-yl]methyl benzoate
CID 20871291
N-[1-[(2S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 11093414
N-[1-[(2S,4R,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 56845776
N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 5240352
[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 6-(4-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxyphenyl)-6-(4-methylphenyl)-4-oxohexanoate
CID 158935367
N-[1-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 11093511
N-[1-[(2R,5R)-4-hydroxy-5-(2-oxopropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57135950
[(3aS,4R,6R,6aR)-4-(4-benzamido-2-oxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl benzoate
CID 97487692
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 142604179
N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
CID 7272015
[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] phosphate
CID 134885514

Frequently Asked Questions

What is the IUPAC name of [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate?
The IUPAC name of [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate (CID 155887060) is [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate.
What is the SMILES notation for [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate?
The canonical SMILES for [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate is COc1ccc(C(=O)OCC2CCC(n3ccc(NC(=O)c4ccccc4)nc3=O)O2)cc1.
What is the InChIKey of [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate?
The InChIKey is WNQFXLNNTCLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-31-18-9-7-17(8-10-18)23(29)32-15-19-11-12-21(33-19)27-14-13-20(26-24(27)30)25-22(28)16-5-3-2-4-6-16/h2-10,13-14,19,21H,11-12,15H2,1H3,(H,25,26,28,30).
What are the key properties of [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate?
[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate has a molecular weight of 449.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate is sourced from PubChem (CID 155887060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).