3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one

C16H11NO4 — CID 40570041

IUPAC3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NO[C@@H](c2ccco2)C1
InChIInChI=1S/C16H11NO4/c18-16-11(8-10-4-1-2-5-13(10)20-16)12-9-15(21-17-12)14-6-3-7-19-14/h1-8,15H,9H2/t15-/m1/s1
InChIKeyDMQBECUNFMUMKL-OAHLLOKOSA-N
MW281.27 g/mol
LogP3.25
Rot. Bonds2

About 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one

3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one (PubChem CID 40570041) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one.

Molecular Properties

Compound Name3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one
PubChem CID40570041
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NO[C@@H](c2ccco2)C1
InChIInChI=1S/C16H11NO4/c18-16-11(8-10-4-1-2-5-13(10)20-16)12-9-15(21-17-12)14-6-3-7-19-14/h1-8,15H,9H2/t15-/m1/s1
InChIKeyDMQBECUNFMUMKL-OAHLLOKOSA-N
XLogP3.25
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one
CID 5020699
3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 5115349
5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 21065040
3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 74538747
3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 4532763
1-[(3S)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
CID 7128485
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-[(3S)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 40539482
3-(2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)chromen-2-one
CID 3715200
3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 171346824
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one?
The IUPAC name of 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one (CID 40570041) is 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one.
What is the SMILES notation for 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one?
The canonical SMILES for 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one is O=c1oc2ccccc2cc1C1=NO[C@@H](c2ccco2)C1.
What is the InChIKey of 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one?
The InChIKey is DMQBECUNFMUMKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11NO4/c18-16-11(8-10-4-1-2-5-13(10)20-16)12-9-15(21-17-12)14-6-3-7-19-14/h1-8,15H,9H2/t15-/m1/s1.
What are the key properties of 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one?
3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one has a molecular weight of 281.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one is sourced from PubChem (CID 40570041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).