2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H22N8O2 — CID 136544627

IUPAC2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)no1
InChIInChI=1S/C18H22N8O2/c1-12-8-14(23-28-12)22-15(27)9-24-4-6-25(7-5-24)17-16-18(20-10-19-17)26(11-21-16)13-2-3-13/h8,10-11,13H,2-7,9H2,1H3,(H,22,23,27)
InChIKeyHJJJNOCRTQJDCB-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 136544627) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID136544627
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)no1
InChIInChI=1S/C18H22N8O2/c1-12-8-14(23-28-12)22-15(27)9-24-4-6-25(7-5-24)17-16-18(20-10-19-17)26(11-21-16)13-2-3-13/h8,10-11,13H,2-7,9H2,1H3,(H,22,23,27)
InChIKeyHJJJNOCRTQJDCB-UHFFFAOYSA-N
XLogP1.22
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 131960468
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60520975
2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31540361
2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 129402874
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666713
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90508035
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 60507692

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 136544627) is 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)no1.
What is the InChIKey of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HJJJNOCRTQJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-12-8-14(23-28-12)22-15(27)9-24-4-6-25(7-5-24)17-16-18(20-10-19-17)26(11-21-16)13-2-3-13/h8,10-11,13H,2-7,9H2,1H3,(H,22,23,27).
What are the key properties of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 382.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 136544627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).