1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone

C23H23NO4 — CID 59832108

IUPAC1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone
SMILESCC(=O)[C@H]1COc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2C1
InChIInChI=1S/C23H23NO4/c1-15(25)19-12-18-8-9-20(13-22(18)27-14-19)26-11-10-21-16(2)28-23(24-21)17-6-4-3-5-7-17/h3-9,13,19H,10-12,14H2,1-2H3/t19-/m1/s1
InChIKeyDPSZJIHQTWGGNB-LJQANCHMSA-N
MW377.44 g/mol
LogP4.41
Rot. Bonds6

About 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone

1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone (PubChem CID 59832108) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone
PubChem CID59832108
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone
SMILESCC(=O)[C@H]1COc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2C1
InChIInChI=1S/C23H23NO4/c1-15(25)19-12-18-8-9-20(13-22(18)27-14-19)26-11-10-21-16(2)28-23(24-21)17-6-4-3-5-7-17/h3-9,13,19H,10-12,14H2,1-2H3/t19-/m1/s1
InChIKeyDPSZJIHQTWGGNB-LJQANCHMSA-N
XLogP4.41
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 69279617
methyl 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 25148014
ethyl 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 142856087
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
(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-[2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10091852
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
(3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 21134026
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone?
The IUPAC name of 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone (CID 59832108) is 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone is CC(=O)[C@H]1COc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2C1.
What is the InChIKey of 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone?
The InChIKey is DPSZJIHQTWGGNB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15(25)19-12-18-8-9-20(13-22(18)27-14-19)26-11-10-21-16(2)28-23(24-21)17-6-4-3-5-7-17/h3-9,13,19H,10-12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone?
1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone is sourced from PubChem (CID 59832108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).