2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one

C18H13NO4 — CID 5272807

IUPAC2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(C3=NCCO3)cc2)oc2ccccc12
InChIInChI=1S/C18H13NO4/c20-15-13-3-1-2-4-14(13)23-17(16(15)21)11-5-7-12(8-6-11)18-19-9-10-22-18/h1-8,21H,9-10H2
InChIKeyOJIZBCKYXLGIEP-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.94
Rot. Bonds2

About 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one

2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one (PubChem CID 5272807) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one
PubChem CID5272807
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(C3=NCCO3)cc2)oc2ccccc12
InChIInChI=1S/C18H13NO4/c20-15-13-3-1-2-4-14(13)23-17(16(15)21)11-5-7-12(8-6-11)18-19-9-10-22-18/h1-8,21H,9-10H2
InChIKeyOJIZBCKYXLGIEP-UHFFFAOYSA-N
XLogP2.94
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-hydroxyphenyl)-3-methylchromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one?
The IUPAC name of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one (CID 5272807) is 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one.
What is the SMILES notation for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one?
The canonical SMILES for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one is O=c1c(O)c(-c2ccc(C3=NCCO3)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one?
The InChIKey is OJIZBCKYXLGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-15-13-3-1-2-4-14(13)23-17(16(15)21)11-5-7-12(8-6-11)18-19-9-10-22-18/h1-8,21H,9-10H2.
What are the key properties of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one?
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one has a molecular weight of 307.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one is sourced from PubChem (CID 5272807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).