1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone

C14H15NO3 — CID 116826329

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESO=C(CC1=NCCO1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15NO3/c16-12(9-14-15-5-7-18-14)10-3-4-13-11(8-10)2-1-6-17-13/h3-4,8H,1-2,5-7,9H2
InChIKeyKAHHIHFGMYTOKF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.01
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone

1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (PubChem CID 116826329) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
PubChem CID116826329
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESO=C(CC1=NCCO1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15NO3/c16-12(9-14-15-5-7-18-14)10-3-4-13-11(8-10)2-1-6-17-13/h3-4,8H,1-2,5-7,9H2
InChIKeyKAHHIHFGMYTOKF-UHFFFAOYSA-N
XLogP2.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 116826300
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
CID 7214406

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (CID 116826329) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is O=C(CC1=NCCO1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The InChIKey is KAHHIHFGMYTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(9-14-15-5-7-18-14)10-3-4-13-11(8-10)2-1-6-17-13/h3-4,8H,1-2,5-7,9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.01, 3 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-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 116826329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).