4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

C17H23N5O — CID 102563909

IUPAC4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCN(C4CC5CCC4C5)CC3)c12
InChIInChI=1S/C17H23N5O/c1-11-15-16(18-10-19-17(15)23-20-11)22-6-4-21(5-7-22)14-9-12-2-3-13(14)8-12/h10,12-14H,2-9H2,1H3
InChIKeyQHSLRVRKMMDVQC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.24
Rot. Bonds2

About 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 102563909) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID102563909
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCN(C4CC5CCC4C5)CC3)c12
InChIInChI=1S/C17H23N5O/c1-11-15-16(18-10-19-17(15)23-20-11)22-6-4-21(5-7-22)14-9-12-2-3-13(14)8-12/h10,12-14H,2-9H2,1H3
InChIKeyQHSLRVRKMMDVQC-UHFFFAOYSA-N
XLogP2.24
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 102563909) is 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCN(C4CC5CCC4C5)CC3)c12.
What is the InChIKey of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is QHSLRVRKMMDVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-15-16(18-10-19-17(15)23-20-11)22-6-4-21(5-7-22)14-9-12-2-3-13(14)8-12/h10,12-14H,2-9H2,1H3.
What are the key properties of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 313.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 102563909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).