7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide

C22H22N2O6S — CID 69279617

IUPAC7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2c(c1)OCC(C(=O)NS(C)(=O)=O)C2
InChIInChI=1S/C22H22N2O6S/c1-14-19(23-22(30-14)15-6-4-3-5-7-15)13-28-18-9-8-16-10-17(12-29-20(16)11-18)21(25)24-31(2,26)27/h3-9,11,17H,10,12-13H2,1-2H3,(H,24,25)
InChIKeyONYBURMYSMUZMQ-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.86
Rot. Bonds6

About 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide

7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 69279617) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID69279617
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2c(c1)OCC(C(=O)NS(C)(=O)=O)C2
InChIInChI=1S/C22H22N2O6S/c1-14-19(23-22(30-14)15-6-4-3-5-7-15)13-28-18-9-8-16-10-17(12-29-20(16)11-18)21(25)24-31(2,26)27/h3-9,11,17H,10,12-13H2,1-2H3,(H,24,25)
InChIKeyONYBURMYSMUZMQ-UHFFFAOYSA-N
XLogP2.86
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-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

N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 157483494
1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone
CID 59832108
(3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;sulfane
CID 159613387
7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 11669684
N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
CID 10807777
N-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]hydroxylamine
CID 10784998
7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-tert-butyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 69279606
methyl 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 25148014
(3S)-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10111117
2-tert-butyl-7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 69279615
3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl methanesulfonate
CID 87956133
ethyl 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 142856087

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 69279617) is 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide is Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)OCC(C(=O)NS(C)(=O)=O)C2.
What is the InChIKey of 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ONYBURMYSMUZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-14-19(23-22(30-14)15-6-4-3-5-7-15)13-28-18-9-8-16-10-17(12-29-20(16)11-18)21(25)24-31(2,26)27/h3-9,11,17H,10,12-13H2,1-2H3,(H,24,25).
What are the key properties of 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 69279617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).