N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide

C18H18N2O5 — CID 110689161

IUPACN-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2NC(=O)OC2c2ccccc2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-23-13-9-8-12(10-14(13)24-2)19-17(21)15-16(25-18(22)20-15)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJMZOHKCBSKKTAJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.49
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide (PubChem CID 110689161) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
PubChem CID110689161
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2NC(=O)OC2c2ccccc2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-23-13-9-8-12(10-14(13)24-2)19-17(21)15-16(25-18(22)20-15)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJMZOHKCBSKKTAJ-UHFFFAOYSA-N
XLogP2.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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(1R,2R,3R,4S)-3-[(3,4-dimethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
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(3S)-N-(3,4-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711878
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
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CID 1468769
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
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CID 110602595
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
(3,4-dimethoxyphenyl)urea
CID 21197430
(2S)-N-(3,4-dimethoxyphenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide (CID 110689161) is N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide is COc1ccc(NC(=O)C2NC(=O)OC2c2ccccc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is JMZOHKCBSKKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-13-9-8-12(10-14(13)24-2)19-17(21)15-16(25-18(22)20-15)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110689161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).