6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol

C20H19NO2 — CID 72684073

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccccc1)CC2
InChIInChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3
InChIKeySEOJJNHYXOQNOZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol (PubChem CID 72684073) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol
PubChem CID72684073
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccccc1)CC2
InChIInChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3
InChIKeySEOJJNHYXOQNOZ-UHFFFAOYSA-N
XLogP4.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol (CID 72684073) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol is Cc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccccc1)CC2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol?
The InChIKey is SEOJJNHYXOQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol has a molecular weight of 305.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 72684073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).