2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide

C22H22N2O5 — CID 123444013

IUPAC2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1ccc(-c3cnco3)c(OC)c1)CC2O
InChIInChI=1S/C22H22N2O5/c1-27-15-4-6-16-18(10-15)13(7-19(16)25)8-22(26)24-14-3-5-17(20(9-14)28-2)21-11-23-12-29-21/h3-6,9-13,19,25H,7-8H2,1-2H3,(H,24,26)
InChIKeySFRSZBKYDDWNIA-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.91
Rot. Bonds6

About 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide

2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 123444013) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID123444013
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1ccc(-c3cnco3)c(OC)c1)CC2O
InChIInChI=1S/C22H22N2O5/c1-27-15-4-6-16-18(10-15)13(7-19(16)25)8-22(26)24-14-3-5-17(20(9-14)28-2)21-11-23-12-29-21/h3-6,9-13,19,25H,7-8H2,1-2H3,(H,24,26)
InChIKeySFRSZBKYDDWNIA-UHFFFAOYSA-N
XLogP3.91
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide 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'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177366
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
2-(3-bromophenyl)-3-(4-bromophenyl)-N,N'-bis[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]butanediamide
CID 90177461
2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
CID 20766427
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766799
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide (CID 123444013) is 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide is COc1ccc2c(c1)C(CC(=O)Nc1ccc(-c3cnco3)c(OC)c1)CC2O.
What is the InChIKey of 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is SFRSZBKYDDWNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-15-4-6-16-18(10-15)13(7-19(16)25)8-22(26)24-14-3-5-17(20(9-14)28-2)21-11-23-12-29-21/h3-6,9-13,19,25H,7-8H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 123444013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).