4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol

C17H16ClNO2 — CID 136961717

IUPAC4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
SMILESCc1cc(O)c(C2=NOC(c3ccccc3)C2)c(C)c1Cl
InChIInChI=1S/C17H16ClNO2/c1-10-8-14(20)16(11(2)17(10)18)13-9-15(21-19-13)12-6-4-3-5-7-12/h3-8,15,20H,9H2,1-2H3
InChIKeyCATDXXOEGMZGGE-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.53
Rot. Bonds2

About 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol

4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol (PubChem CID 136961717) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
PubChem CID136961717
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
SMILESCc1cc(O)c(C2=NOC(c3ccccc3)C2)c(C)c1Cl
InChIInChI=1S/C17H16ClNO2/c1-10-8-14(20)16(11(2)17(10)18)13-9-15(21-19-13)12-6-4-3-5-7-12/h3-8,15,20H,9H2,1-2H3
InChIKeyCATDXXOEGMZGGE-UHFFFAOYSA-N
XLogP4.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol?
The IUPAC name of 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol (CID 136961717) is 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol?
The canonical SMILES for 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol is Cc1cc(O)c(C2=NOC(c3ccccc3)C2)c(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol?
The InChIKey is CATDXXOEGMZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-8-14(20)16(11(2)17(10)18)13-9-15(21-19-13)12-6-4-3-5-7-12/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol?
4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol has a molecular weight of 301.77 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol is sourced from PubChem (CID 136961717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).