2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

C19H16ClN3O2 — CID 663459

IUPAC2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N
InChIInChI=1S/C19H16ClN3O2/c1-23(2)19-17(11-21)22-18(25-19)14-5-9-16(10-6-14)24-12-13-3-7-15(20)8-4-13/h3-10H,12H2,1-2H3
InChIKeyCMVJGSUPZYIDHO-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.51
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 663459) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID663459
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N
InChIInChI=1S/C19H16ClN3O2/c1-23(2)19-17(11-21)22-18(25-19)14-5-9-16(10-6-14)24-12-13-3-7-15(20)8-4-13/h3-10H,12H2,1-2H3
InChIKeyCMVJGSUPZYIDHO-UHFFFAOYSA-N
XLogP4.51
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile (CID 663459) is 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile is CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is CMVJGSUPZYIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23(2)19-17(11-21)22-18(25-19)14-5-9-16(10-6-14)24-12-13-3-7-15(20)8-4-13/h3-10H,12H2,1-2H3.
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 353.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).