formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C22H21N3O6 — CID 163338159

IUPACformic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(=O)CC2NC(=O)c3ccccc32)cc1.O=CO
InChIInChI=1S/C21H19N3O4.CH2O2/c1-12-19(13-7-9-14(27-2)10-8-13)21(28-24-12)23-18(25)11-17-15-5-3-4-6-16(15)20(26)22-17;2-1-3/h3-10,17H,11H2,1-2H3,(H,22,26)(H,23,25);1H,(H,2,3)
InChIKeyADSMHMQQJPGCNE-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.17
Rot. Bonds5

About formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 163338159) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound Nameformic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID163338159
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Nameformic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(=O)CC2NC(=O)c3ccccc32)cc1.O=CO
InChIInChI=1S/C21H19N3O4.CH2O2/c1-12-19(13-7-9-14(27-2)10-8-13)21(28-24-12)23-18(25)11-17-15-5-3-4-6-16(15)20(26)22-17;2-1-3/h3-10,17H,11H2,1-2H3,(H,22,26)(H,23,25);1H,(H,2,3)
InChIKeyADSMHMQQJPGCNE-UHFFFAOYSA-N
XLogP3.17
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71705159
N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 155917888
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 110206631
2-[3,5-dimethyl-4-[[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 46988724
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 155916871
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(2-oxo-1H-pyridin-4-yl)acetamide
CID 157016749
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
CID 102517664

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 163338159) is formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is COc1ccc(-c2c(C)noc2NC(=O)CC2NC(=O)c3ccccc32)cc1.O=CO.
What is the InChIKey of formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is ADSMHMQQJPGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4.CH2O2/c1-12-19(13-7-9-14(27-2)10-8-13)21(28-24-12)23-18(25)11-17-15-5-3-4-6-16(15)20(26)22-17;2-1-3/h3-10,17H,11H2,1-2H3,(H,22,26)(H,23,25);1H,(H,2,3).
What are the key properties of formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 423.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 163338159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).