2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

C16H17N3O2 — CID 18822634

IUPAC2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1
InChIInChI=1S/C16H17N3O2/c1-20-14-8-4-3-7-12(14)15-18-13(11-17)16(21-15)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNWSCAWKMTLSVPI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.21
Rot. Bonds3

About 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 18822634) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID18822634
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1
InChIInChI=1S/C16H17N3O2/c1-20-14-8-4-3-7-12(14)15-18-13(11-17)16(21-15)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNWSCAWKMTLSVPI-UHFFFAOYSA-N
XLogP3.21
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazole
CID 1316588
2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 892116
2-(2-methoxyphenyl)-5-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1,3-oxazole-4-carbonitrile
CID 163045760
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 661055
2-[(2-methylphenoxy)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 751009
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazole
CID 18890569
5-(azepan-1-yl)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile
CID 891749
5-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 949795
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 18822634) is 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is COc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is NWSCAWKMTLSVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-14-8-4-3-7-12(14)15-18-13(11-17)16(21-15)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).