5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C22H26FN3O4 — CID 42211888

IUPAC5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1
InChIInChI=1S/C22H26FN3O4/c1-2-17-13-19(25-30-17)20(27)24-14-18-7-8-22(29-18)9-11-26(12-10-22)21(28)15-3-5-16(23)6-4-15/h3-6,13,18H,2,7-12,14H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyQDOFDDIEFBZJJE-GOSISDBHSA-N
MW415.47 g/mol
LogP2.96
Rot. Bonds5

About 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42211888) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID42211888
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1
InChIInChI=1S/C22H26FN3O4/c1-2-17-13-19(25-30-17)20(27)24-14-18-7-8-22(29-18)9-11-26(12-10-22)21(28)15-3-5-16(23)6-4-15/h3-6,13,18H,2,7-12,14H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyQDOFDDIEFBZJJE-GOSISDBHSA-N
XLogP2.96
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 45173149
N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 42540053
3-fluoro-4-methoxy-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 126467613
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
CID 167754057
N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
CID 42237886
2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 56852446
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42367998
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296
2-(2-chloro-4-fluorophenyl)-N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45185315
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 42211888) is 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1.
What is the InChIKey of 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QDOFDDIEFBZJJE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-2-17-13-19(25-30-17)20(27)24-14-18-7-8-22(29-18)9-11-26(12-10-22)21(28)15-3-5-16(23)6-4-15/h3-6,13,18H,2,7-12,14H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42211888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).