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

C15H16N4O2 — CID 43828377

IUPAC2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCNCC2)o1
InChIInChI=1S/C15H16N4O2/c1-20-13-5-3-2-4-11(13)14-18-12(10-16)15(21-14)19-8-6-17-7-9-19/h2-5,17H,6-9H2,1H3
InChIKeyVVEKVQWKVDVSJB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.63
Rot. Bonds3

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

2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 43828377) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID43828377
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCNCC2)o1
InChIInChI=1S/C15H16N4O2/c1-20-13-5-3-2-4-11(13)14-18-12(10-16)15(21-14)19-8-6-17-7-9-19/h2-5,17H,6-9H2,1H3
InChIKeyVVEKVQWKVDVSJB-UHFFFAOYSA-N
XLogP1.63
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822634
5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 942043
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-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 892116
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 43828382
2-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 43828384
5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazole
CID 1316588
2-(2-chlorophenyl)-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898350
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 661055

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (CID 43828377) is 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is COc1ccccc1-c1nc(C#N)c(N2CCNCC2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is VVEKVQWKVDVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-5-3-2-4-11(13)14-18-12(10-16)15(21-14)19-8-6-17-7-9-19/h2-5,17H,6-9H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 43828377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).