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

C19H22FN3O3 — CID 133137321

IUPACN-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCC2(CN(Cc3ccccc3F)C2)OC1)c1ccno1
InChIInChI=1S/C19H22FN3O3/c20-16-4-2-1-3-15(16)10-23-12-19(13-23)7-5-14(11-25-19)9-21-18(24)17-6-8-22-26-17/h1-4,6,8,14H,5,7,9-13H2,(H,21,24)
InChIKeyCCLMXFWNQHLILU-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.22
Rot. Bonds5

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

N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 133137321) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID133137321
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCC2(CN(Cc3ccccc3F)C2)OC1)c1ccno1
InChIInChI=1S/C19H22FN3O3/c20-16-4-2-1-3-15(16)10-23-12-19(13-23)7-5-14(11-25-19)9-21-18(24)17-6-8-22-26-17/h1-4,6,8,14H,5,7,9-13H2,(H,21,24)
InChIKeyCCLMXFWNQHLILU-UHFFFAOYSA-N
XLogP2.22
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(7R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124820874
N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131661153
N-[[2-(cyclobutanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692659
N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692562
N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
CID 131655434
N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-2-methylpropanamide
CID 133143312
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 131640403
N-[[2-[(2-cyanophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 133135634
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 133137467
N-[[(7S)-2-methyl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-3-carboxamide
CID 124813942
N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42379776
1-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-fluorophenyl)ethanone
CID 131648399

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (CID 133137321) is N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCC2(CN(Cc3ccccc3F)C2)OC1)c1ccno1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is CCLMXFWNQHLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-16-4-2-1-3-15(16)10-23-12-19(13-23)7-5-14(11-25-19)9-21-18(24)17-6-8-22-26-17/h1-4,6,8,14H,5,7,9-13H2,(H,21,24).
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 133137321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).