1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone

C21H19NO3 — CID 165108124

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
SMILESCc1cc(CC(=O)C2COc3ccccc3C2)ccc1-c1cnco1
InChIInChI=1S/C21H19NO3/c1-14-8-15(6-7-18(14)21-11-22-13-25-21)9-19(23)17-10-16-4-2-3-5-20(16)24-12-17/h2-8,11,13,17H,9-10,12H2,1H3
InChIKeyZMKDXOIFQGVIAE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.01
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone

1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone (PubChem CID 165108124) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
PubChem CID165108124
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
SMILESCc1cc(CC(=O)C2COc3ccccc3C2)ccc1-c1cnco1
InChIInChI=1S/C21H19NO3/c1-14-8-15(6-7-18(14)21-11-22-13-25-21)9-19(23)17-10-16-4-2-3-5-20(16)24-12-17/h2-8,11,13,17H,9-10,12H2,1H3
InChIKeyZMKDXOIFQGVIAE-UHFFFAOYSA-N
XLogP4.01
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
2-(5-bromo-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 104799040
(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
(3R)-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866896
N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 166904191
1-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]ethanone
CID 165065499
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
1-(3,4-dihydro-2H-chromen-3-yl)hex-4-yn-1-one
CID 104803319
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 65407017
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65350959
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone (CID 165108124) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone is Cc1cc(CC(=O)C2COc3ccccc3C2)ccc1-c1cnco1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone?
The InChIKey is ZMKDXOIFQGVIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-8-15(6-7-18(14)21-11-22-13-25-21)9-19(23)17-10-16-4-2-3-5-20(16)24-12-17/h2-8,11,13,17H,9-10,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone?
1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 165108124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).