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

C16H18FN5O3 — CID 124781951

IUPACN-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@@H]1CCC2(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)/t11-/m0/s1
InChIKeyNPGMRKHUVRRUMW-NSHDSACASA-N
MW347.35 g/mol
LogP1.02
Rot. Bonds4

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

N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 124781951) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID124781951
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC NameN-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@@H]1CCC2(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)/t11-/m0/s1
InChIKeyNPGMRKHUVRRUMW-NSHDSACASA-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-[[(7S)-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-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (CID 124781951) is N-[[(7S)-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-[[(7S)-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-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccno1.
What is the InChIKey of N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NPGMRKHUVRRUMW-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(7S)-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-[[(7S)-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 124781951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).