[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C19H22FN3O4 — CID 133143323

IUPAC[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC2(CC(CCOc3ncccc3F)CCO2)C1
InChIInChI=1S/C19H22FN3O4/c1-13-16(26-12-22-13)18(24)23-10-19(11-23)9-14(5-8-27-19)4-7-25-17-15(20)3-2-6-21-17/h2-3,6,12,14H,4-5,7-11H2,1H3
InChIKeyDNLPOIBIUZAKSU-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.61
Rot. Bonds5

About [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 133143323) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID133143323
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC2(CC(CCOc3ncccc3F)CCO2)C1
InChIInChI=1S/C19H22FN3O4/c1-13-16(26-12-22-13)18(24)23-10-19(11-23)9-14(5-8-27-19)4-7-25-17-15(20)3-2-6-21-17/h2-3,6,12,14H,4-5,7-11H2,1H3
InChIKeyDNLPOIBIUZAKSU-UHFFFAOYSA-N
XLogP2.61
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-{[2-(3,4-Difluorophenoxy)pyridin-3-YL]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 56755717
2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
CID 71851017
1-(4-Methyl-1,3-oxazole-5-carbonyl)-4-[3-phenoxy-1-(propan-2-YL)azetidin-2-YL]piperidine
CID 124077558
(6S)-4-(4-methyl-1,3-oxazole-5-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26134691
N-{[2-(2,4-Difluorophenoxy)pyridin-3-YL]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 56739433
1,5-anhydro-2,4-dideoxy-4-{[(4-methyl-1,3-oxazol-5-yl)carbonyl]amino}-3-O-(6-methylpyridin-3-yl)-D-erythro-pentitol
CID 91775470
N-[(2-butoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 126836254
4-methyl-N-({2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}methyl)-1,3-oxazole-5-carboxamide
CID 42095467
(2,4-Dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110256539
(2,4-Dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110256543
{4,4-Difluoro-3-[(3-pyridylmethoxy)methyl]piperidino}(4-methyl-1,3-oxazol-5-yl)methanone
CID 124051352
4-[2-(4-Fluorophenoxy)ethyl]-9-(4-methyl-1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124077037

Frequently Asked Questions

What is the IUPAC name of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 133143323) is [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC2(CC(CCOc3ncccc3F)CCO2)C1.
What is the InChIKey of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is DNLPOIBIUZAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-13-16(26-12-22-13)18(24)23-10-19(11-23)9-14(5-8-27-19)4-7-25-17-15(20)3-2-6-21-17/h2-3,6,12,14H,4-5,7-11H2,1H3.
What are the key properties of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 375.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 133143323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).