[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

C18H23N5O3 — CID 46967523

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
SMILESCCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1
InChIInChI=1S/C18H23N5O3/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
InChIKeyDKOVWKMHKGQRHY-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.37
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

[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 (PubChem CID 46967523) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 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.

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
PubChem CID46967523
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
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
SMILESCCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1
InChIInChI=1S/C18H23N5O3/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
InChIKeyDKOVWKMHKGQRHY-UHFFFAOYSA-N
XLogP1.37
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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?
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 (CID 46967523) 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.
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?
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 is CCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1.
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?
The InChIKey is DKOVWKMHKGQRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/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.
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?
[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 has a molecular weight of 357.41 g/mol, XLogP of 1.37, 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 is sourced from PubChem (CID 46967523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).