[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C16H21N5O3 — CID 20929322

IUPAC[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1noc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C16H21N5O3/c1-11-13-14(17-10-18-15(13)24-19-11)20-4-2-12(3-5-20)16(22)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3
InChIKeyVCFWLGBAFPNIAB-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.00
Rot. Bonds2

About [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 20929322) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID20929322
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1noc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C16H21N5O3/c1-11-13-14(17-10-18-15(13)24-19-11)20-4-2-12(3-5-20)16(22)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3
InChIKeyVCFWLGBAFPNIAB-UHFFFAOYSA-N
XLogP1.00
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 20929322) is [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is Cc1noc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c12.
What is the InChIKey of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VCFWLGBAFPNIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-13-14(17-10-18-15(13)24-19-11)20-4-2-12(3-5-20)16(22)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3.
What are the key properties of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 331.38 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20929322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).