1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol

C19H17NO3 — CID 52951124

IUPAC1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol
SMILESOC(c1ncco1)C1Cc2ccc(Oc3ccccc3)cc2C1
InChIInChI=1S/C19H17NO3/c21-18(19-20-8-9-22-19)15-10-13-6-7-17(12-14(13)11-15)23-16-4-2-1-3-5-16/h1-9,12,15,18,21H,10-11H2
InChIKeyMJIQOLXBEVWIQH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.92
Rot. Bonds4

About 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol

1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol (PubChem CID 52951124) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol.

Molecular Properties

Compound Name1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol
PubChem CID52951124
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol
SMILESOC(c1ncco1)C1Cc2ccc(Oc3ccccc3)cc2C1
InChIInChI=1S/C19H17NO3/c21-18(19-20-8-9-22-19)15-10-13-6-7-17(12-14(13)11-15)23-16-4-2-1-3-5-16/h1-9,12,15,18,21H,10-11H2
InChIKeyMJIQOLXBEVWIQH-UHFFFAOYSA-N
XLogP3.92
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol?
The IUPAC name of 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol (CID 52951124) is 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol.
What is the SMILES notation for 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol?
The canonical SMILES for 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol is OC(c1ncco1)C1Cc2ccc(Oc3ccccc3)cc2C1.
What is the InChIKey of 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol?
The InChIKey is MJIQOLXBEVWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(19-20-8-9-22-19)15-10-13-6-7-17(12-14(13)11-15)23-16-4-2-1-3-5-16/h1-9,12,15,18,21H,10-11H2.
What are the key properties of 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol?
1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol has a molecular weight of 307.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl-(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanol is sourced from PubChem (CID 52951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).