(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone

C14H15N7O2 — CID 118779921

IUPAC(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H15N7O2/c1-9-10(19-8-23-9)14(22)21-4-2-20(3-5-21)13-11-12(16-6-15-11)17-7-18-13/h6-8H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyYQLDNMZWFNQGSI-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.61
Rot. Bonds2

About (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone

(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone (PubChem CID 118779921) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
PubChem CID118779921
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H15N7O2/c1-9-10(19-8-23-9)14(22)21-4-2-20(3-5-21)13-11-12(16-6-15-11)17-7-18-13/h6-8H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyYQLDNMZWFNQGSI-UHFFFAOYSA-N
XLogP0.61
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone (CID 118779921) is (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone is Cc1ocnc1C(=O)N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone?
The InChIKey is YQLDNMZWFNQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-9-10(19-8-23-9)14(22)21-4-2-20(3-5-21)13-11-12(16-6-15-11)17-7-18-13/h6-8H,2-5H2,1H3,(H,15,16,17,18).
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone?
(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone has a molecular weight of 313.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 118779921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).