2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile

C19H16FN3O2 — CID 661531

IUPAC2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccccc2F)oc1NCCc1ccccc1
InChIInChI=1S/C19H16FN3O2/c20-15-8-4-5-9-17(15)24-13-18-23-16(12-21)19(25-18)22-11-10-14-6-2-1-3-7-14/h1-9,22H,10-11,13H2
InChIKeyHMGZJRZSLCXSOX-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.92
Rot. Bonds7

About 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile

2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 661531) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID661531
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccccc2F)oc1NCCc1ccccc1
InChIInChI=1S/C19H16FN3O2/c20-15-8-4-5-9-17(15)24-13-18-23-16(12-21)19(25-18)22-11-10-14-6-2-1-3-7-14/h1-9,22H,10-11,13H2
InChIKeyHMGZJRZSLCXSOX-UHFFFAOYSA-N
XLogP3.92
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 661531) is 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(COc2ccccc2F)oc1NCCc1ccccc1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is HMGZJRZSLCXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-8-4-5-9-17(15)24-13-18-23-16(12-21)19(25-18)22-11-10-14-6-2-1-3-7-14/h1-9,22H,10-11,13H2.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 337.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).