4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile

C19H15ClN2O3 — CID 71655083

IUPAC4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile
SMILESCCCc1cc(-c2ccc(Oc3ccc(C#N)cc3O)c(Cl)c2)no1
InChIInChI=1S/C19H15ClN2O3/c1-2-3-14-10-16(22-25-14)13-5-7-18(15(20)9-13)24-19-6-4-12(11-21)8-17(19)23/h4-10,23H,2-3H2,1H3
InChIKeyAGPRFNDYMUEREM-UHFFFAOYSA-N
MW354.79 g/mol
LogP5.32
Rot. Bonds5

About 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile

4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile (PubChem CID 71655083) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile.

Molecular Properties

Compound Name4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile
PubChem CID71655083
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile
SMILESCCCc1cc(-c2ccc(Oc3ccc(C#N)cc3O)c(Cl)c2)no1
InChIInChI=1S/C19H15ClN2O3/c1-2-3-14-10-16(22-25-14)13-5-7-18(15(20)9-13)24-19-6-4-12(11-21)8-17(19)23/h4-10,23H,2-3H2,1H3
InChIKeyAGPRFNDYMUEREM-UHFFFAOYSA-N
XLogP5.32
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.79
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile?
The IUPAC name of 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile (CID 71655083) is 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile.
What is the SMILES notation for 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile?
The canonical SMILES for 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile is CCCc1cc(-c2ccc(Oc3ccc(C#N)cc3O)c(Cl)c2)no1.
What is the InChIKey of 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile?
The InChIKey is AGPRFNDYMUEREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-2-3-14-10-16(22-25-14)13-5-7-18(15(20)9-13)24-19-6-4-12(11-21)8-17(19)23/h4-10,23H,2-3H2,1H3.
What are the key properties of 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile?
4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile has a molecular weight of 354.79 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(5-propyl-1,2-oxazol-3-yl)phenoxy]-3-hydroxybenzonitrile is sourced from PubChem (CID 71655083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).