2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole

C18H18N6O — CID 70745553

IUPAC2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1cc(N2CCN(c3nc4ccccc4o3)CC2)n2nccc2n1
InChIInChI=1S/C18H18N6O/c1-13-12-17(24-16(20-13)6-7-19-24)22-8-10-23(11-9-22)18-21-14-4-2-3-5-15(14)25-18/h2-7,12H,8-11H2,1H3
InChIKeyOXHSXKMRDVYTNH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.51
Rot. Bonds2

About 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole

2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 70745553) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID70745553
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1cc(N2CCN(c3nc4ccccc4o3)CC2)n2nccc2n1
InChIInChI=1S/C18H18N6O/c1-13-12-17(24-16(20-13)6-7-19-24)22-8-10-23(11-9-22)18-21-14-4-2-3-5-15(14)25-18/h2-7,12H,8-11H2,1H3
InChIKeyOXHSXKMRDVYTNH-UHFFFAOYSA-N
XLogP2.51
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56902175
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139027758
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
3-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 155798955
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
CID 163357159
5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 70787787
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-benzoxazole
CID 39772219
5-methyl-7-(4-pyridin-3-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 56916689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole (CID 70745553) is 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole is Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)n2nccc2n1.
What is the InChIKey of 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is OXHSXKMRDVYTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13-12-17(24-16(20-13)6-7-19-24)22-8-10-23(11-9-22)18-21-14-4-2-3-5-15(14)25-18/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole?
2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 334.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 70745553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).