5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile

C16H15N3O2 — CID 2963497

IUPAC5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C16H15N3O2/c17-12-14-16(19-8-10-20-11-9-19)21-15(18-14)7-6-13-4-2-1-3-5-13/h1-7H,8-11H2
InChIKeyZJOADEDSOMENEG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.55
Rot. Bonds3

About 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile

5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 2963497) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID2963497
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C16H15N3O2/c17-12-14-16(19-8-10-20-11-9-19)21-15(18-14)7-6-13-4-2-1-3-5-13/h1-7H,8-11H2
InChIKeyZJOADEDSOMENEG-UHFFFAOYSA-N
XLogP2.55
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 18822627
5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963495
5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 171131350
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 6200373
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647185
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647183
5-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 171686389
5-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 171336540
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647281
5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647251
2-[2-(3-methoxyphenyl)ethenyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 4750470
5-(azepan-1-yl)-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200473

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile (CID 2963497) is 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(C=Cc2ccccc2)oc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ZJOADEDSOMENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-12-14-16(19-8-10-20-11-9-19)21-15(18-14)7-6-13-4-2-1-3-5-13/h1-7H,8-11H2.
What are the key properties of 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 281.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2963497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).