N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide

C16H18FN5O3 — CID 131659989

IUPACN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccno1
InChIInChI=1S/C16H18FN5O3/c17-12-6-19-15(20-7-12)22-9-16(10-22)3-1-11(8-24-16)5-18-14(23)13-2-4-21-25-13/h2,4,6-7,11H,1,3,5,8-10H2,(H,18,23)
InChIKeyNPGMRKHUVRRUMW-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.02
Rot. Bonds4

About N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 131659989) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID131659989
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC NameN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccno1
InChIInChI=1S/C16H18FN5O3/c17-12-6-19-15(20-7-12)22-9-16(10-22)3-1-11(8-24-16)5-18-14(23)13-2-4-21-25-13/h2,4,6-7,11H,1,3,5,8-10H2,(H,18,23)
InChIKeyNPGMRKHUVRRUMW-UHFFFAOYSA-N
XLogP1.02
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (CID 131659989) is N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccno1.
What is the InChIKey of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NPGMRKHUVRRUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c17-12-6-19-15(20-7-12)22-9-16(10-22)3-1-11(8-24-16)5-18-14(23)13-2-4-21-25-13/h2,4,6-7,11H,1,3,5,8-10H2,(H,18,23).
What are the key properties of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131659989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).