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

C16H16FN5O — CID 1481214

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c12
InChIInChI=1S/C16H16FN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-8-6-21(7-9-22)13-4-2-12(17)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyVKKPQMRROMPTNB-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.39
Rot. Bonds2

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 1481214) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID1481214
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c12
InChIInChI=1S/C16H16FN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-8-6-21(7-9-22)13-4-2-12(17)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyVKKPQMRROMPTNB-UHFFFAOYSA-N
XLogP2.39
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 1481214) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c12.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is VKKPQMRROMPTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-8-6-21(7-9-22)13-4-2-12(17)3-5-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 313.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1481214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).