benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C24H22N2O4 — CID 143176879

IUPACbenzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCc1ccccc1-c1ccc(CC2C(=O)OCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C24H22N2O4/c1-17-7-5-6-10-20(17)21-12-11-19(14-25-21)13-22-23(27)30-16-26(22)24(28)29-15-18-8-3-2-4-9-18/h2-12,14,22H,13,15-16H2,1H3
InChIKeyGVNNLNBNUNYMDS-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.12
Rot. Bonds5

About benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 143176879) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID143176879
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namebenzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCc1ccccc1-c1ccc(CC2C(=O)OCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C24H22N2O4/c1-17-7-5-6-10-20(17)21-12-11-19(14-25-21)13-22-23(27)30-16-26(22)24(28)29-15-18-8-3-2-4-9-18/h2-12,14,22H,13,15-16H2,1H3
InChIKeyGVNNLNBNUNYMDS-UHFFFAOYSA-N
XLogP4.12
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl (4S)-4-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 102109507
tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
CID 175668395
5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
benzyl (4S)-4-(2-benzhydryloxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 101038526
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 143176879) is benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is Cc1ccccc1-c1ccc(CC2C(=O)OCN2C(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is GVNNLNBNUNYMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17-7-5-6-10-20(17)21-12-11-19(14-25-21)13-22-23(27)30-16-26(22)24(28)29-15-18-8-3-2-4-9-18/h2-12,14,22H,13,15-16H2,1H3.
What are the key properties of benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 143176879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).