4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine

C23H23N5O2 — CID 46359635

IUPAC4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1-c1noc2ncnc(N3CCN(Cc4ccccc4)CC3)c12
InChIInChI=1S/C23H23N5O2/c1-29-19-10-6-5-9-18(19)21-20-22(24-16-25-23(20)30-26-21)28-13-11-27(12-14-28)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeyJMUVYSHXAPZAOB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.62
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine

4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 46359635) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID46359635
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1-c1noc2ncnc(N3CCN(Cc4ccccc4)CC3)c12
InChIInChI=1S/C23H23N5O2/c1-29-19-10-6-5-9-18(19)21-20-22(24-16-25-23(20)30-26-21)28-13-11-27(12-14-28)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeyJMUVYSHXAPZAOB-UHFFFAOYSA-N
XLogP3.62
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 20873355
ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
CID 20873474
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434
4-(4-benzylpiperazin-1-yl)-5-(2-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 171342665
(4-benzylpiperazin-1-yl)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 20929323
4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline
CID 71622760
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 33020173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92726579
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
3-(2-methoxyphenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728604

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 46359635) is 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine is COc1ccccc1-c1noc2ncnc(N3CCN(Cc4ccccc4)CC3)c12.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is JMUVYSHXAPZAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-19-10-6-5-9-18(19)21-20-22(24-16-25-23(20)30-26-21)28-13-11-27(12-14-28)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine?
4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 401.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 46359635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).