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

C18H17NO2 — CID 5272635

IUPAC2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)CCC(c1ccc(C3=NCCO3)cc1)O2
InChIInChI=1S/C18H17NO2/c1-2-4-16-13(3-1)9-10-17(21-16)14-5-7-15(8-6-14)18-19-11-12-20-18/h1-8,17H,9-12H2
InChIKeyXNZZRJINIQYCRX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.53
Rot. Bonds2

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

2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 5272635) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID5272635
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)CCC(c1ccc(C3=NCCO3)cc1)O2
InChIInChI=1S/C18H17NO2/c1-2-4-16-13(3-1)9-10-17(21-16)14-5-7-15(8-6-14)18-19-11-12-20-18/h1-8,17H,9-12H2
InChIKeyXNZZRJINIQYCRX-UHFFFAOYSA-N
XLogP3.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 5272635) is 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is c1ccc2c(c1)CCC(c1ccc(C3=NCCO3)cc1)O2.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XNZZRJINIQYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-4-16-13(3-1)9-10-17(21-16)14-5-7-15(8-6-14)18-19-11-12-20-18/h1-8,17H,9-12H2.
What are the key properties of 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 279.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).