7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine

C18H18N6O2 — CID 72927900

IUPAC7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3nc4ccccc4o3)CC2)c2nc(C)oc2n1
InChIInChI=1S/C18H18N6O2/c1-11-19-16(15-17(20-11)25-12(2)21-15)23-7-9-24(10-8-23)18-22-13-5-3-4-6-14(13)26-18/h3-6H,7-10H2,1-2H3
InChIKeyGLXIYQMYQZSNKL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.70
Rot. Bonds2

About 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine

7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 72927900) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID72927900
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3nc4ccccc4o3)CC2)c2nc(C)oc2n1
InChIInChI=1S/C18H18N6O2/c1-11-19-16(15-17(20-11)25-12(2)21-15)23-7-9-24(10-8-23)18-22-13-5-3-4-6-14(13)26-18/h3-6H,7-10H2,1-2H3
InChIKeyGLXIYQMYQZSNKL-UHFFFAOYSA-N
XLogP2.70
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 72927900) is 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine is Cc1nc(N2CCN(c3nc4ccccc4o3)CC2)c2nc(C)oc2n1.
What is the InChIKey of 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is GLXIYQMYQZSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11-19-16(15-17(20-11)25-12(2)21-15)23-7-9-24(10-8-23)18-22-13-5-3-4-6-14(13)26-18/h3-6H,7-10H2,1-2H3.
What are the key properties of 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine?
7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 350.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 72927900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).