3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide

C23H17ClN2O3 — CID 46742179

IUPAC3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCC1ON=C(c2ccccc2Cl)C1C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H17ClN2O3/c1-13-21(22(26-29-13)17-7-2-4-8-18(17)24)23(27)25-14-10-11-16-15-6-3-5-9-19(15)28-20(16)12-14/h2-13,21H,1H3,(H,25,27)
InChIKeyZQLQAXAFJNVCKH-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.62
Rot. Bonds3

About 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide (PubChem CID 46742179) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide
PubChem CID46742179
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCC1ON=C(c2ccccc2Cl)C1C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H17ClN2O3/c1-13-21(22(26-29-13)17-7-2-4-8-18(17)24)23(27)25-14-10-11-16-15-6-3-5-9-19(15)28-20(16)12-14/h2-13,21H,1H3,(H,25,27)
InChIKeyZQLQAXAFJNVCKH-UHFFFAOYSA-N
XLogP5.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 46742181
(4S,5R)-3-(2-chlorophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 98089464
(4R,5S)-3-(2-chlorophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 98089463
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
(1S,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1203748
(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 806478
N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 4916063
trans-(1R,3S)-N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 7319376
(4S,5R)-3-(2-chlorophenyl)-4-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40533129
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
3-(dibenzofuran-3-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3127941

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide (CID 46742179) is 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide is CC1ON=C(c2ccccc2Cl)C1C(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
The InChIKey is ZQLQAXAFJNVCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-13-21(22(26-29-13)17-7-2-4-8-18(17)24)23(27)25-14-10-11-16-15-6-3-5-9-19(15)28-20(16)12-14/h2-13,21H,1H3,(H,25,27).
What are the key properties of 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-dibenzofuran-3-yl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46742179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).