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

C14H12ClN3O2 — CID 892116

IUPAC2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2Cl)oc1N1CCOCC1
InChIInChI=1S/C14H12ClN3O2/c15-11-4-2-1-3-10(11)13-17-12(9-16)14(20-13)18-5-7-19-8-6-18/h1-4H,5-8H2
InChIKeyJZDOKYXDZWHOMI-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.70
Rot. Bonds2

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

2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 892116) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID892116
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2Cl)oc1N1CCOCC1
InChIInChI=1S/C14H12ClN3O2/c15-11-4-2-1-3-10(11)13-17-12(9-16)14(20-13)18-5-7-19-8-6-18/h1-4H,5-8H2
InChIKeyJZDOKYXDZWHOMI-UHFFFAOYSA-N
XLogP2.70
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 18822676
2-(2-chlorophenyl)-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898350
2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822634
4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 987252
2-(2-chlorophenyl)-5-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1,3-oxazole-4-carbonitrile
CID 99642681
5-(azepan-1-yl)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile
CID 891749
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963497
2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 43828377
5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 942043
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 2003510
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822756

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 892116) is 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2Cl)oc1N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is JZDOKYXDZWHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-4-2-1-3-10(11)13-17-12(9-16)14(20-13)18-5-7-19-8-6-18/h1-4H,5-8H2.
What are the key properties of 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 289.72 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).