[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride

C18H24ClN5O3 — CID 118741660

IUPAC[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
SMILESCCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-3-15-16(12(2)21-26-15)17(24)22-5-7-23(8-6-22)18-19-10-13-11-25-9-4-14(13)20-18;/h10H,3-9,11H2,1-2H3;1H
InChIKeyCSNCBZZBGAVFQV-UHFFFAOYSA-N
MW393.88 g/mol
LogP1.79
Rot. Bonds3

About [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride

[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride (PubChem CID 118741660) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
PubChem CID118741660
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Name[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
SMILESCCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-3-15-16(12(2)21-26-15)17(24)22-5-7-23(8-6-22)18-19-10-13-11-25-9-4-14(13)20-18;/h10H,3-9,11H2,1-2H3;1H
InChIKeyCSNCBZZBGAVFQV-UHFFFAOYSA-N
XLogP1.79
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride (CID 118741660) is [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride is CCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1.Cl.
What is the InChIKey of [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
The InChIKey is CSNCBZZBGAVFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c1-3-15-16(12(2)21-26-15)17(24)22-5-7-23(8-6-22)18-19-10-13-11-25-9-4-14(13)20-18;/h10H,3-9,11H2,1-2H3;1H.
What are the key properties of [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride?
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 118741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).