(3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C27H30FN3O4 — CID 58442790

IUPAC(3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccc(OCc4cccc(F)c4)cc2)CO3)c1C
InChIInChI=1S/C27H30FN3O4/c1-18-19(2)30-35-25(18)29-26(32)31-12-10-27(11-13-31)15-22(17-34-27)21-6-8-24(9-7-21)33-16-20-4-3-5-23(28)14-20/h3-9,14,22H,10-13,15-17H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyOZGAIRVYMUXNEP-JOCHJYFZSA-N
MW479.55 g/mol
LogP5.58
Rot. Bonds5

About (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

(3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 58442790) has the molecular formula C27H30FN3O4 and a molecular weight of 479.55 g/mol. Its IUPAC name is (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID58442790
Molecular FormulaC27H30FN3O4
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Name(3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccc(OCc4cccc(F)c4)cc2)CO3)c1C
InChIInChI=1S/C27H30FN3O4/c1-18-19(2)30-35-25(18)29-26(32)31-12-10-27(11-13-31)15-22(17-34-27)21-6-8-24(9-7-21)33-16-20-4-3-5-23(28)14-20/h3-9,14,22H,10-13,15-17H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyOZGAIRVYMUXNEP-JOCHJYFZSA-N
XLogP5.58
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

(3S)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 58442779
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 46207887
3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 46207523
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 46188236
3-(3,4-dichlorophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 46209336
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 46208421
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 46187694
2-[3-[2-(2-chlorophenoxy)ethoxy]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 46187865
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 143999044
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
N-[4-[(3-fluorophenyl)methoxy]phenyl]-2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetamide
CID 122493907
4-[[3-(4,4-difluorocyclohexyl)oxyphenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 66885518

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 58442790) is (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccc(OCc4cccc(F)c4)cc2)CO3)c1C.
What is the InChIKey of (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is OZGAIRVYMUXNEP-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30FN3O4/c1-18-19(2)30-35-25(18)29-26(32)31-12-10-27(11-13-31)15-22(17-34-27)21-6-8-24(9-7-21)33-16-20-4-3-5-23(28)14-20/h3-9,14,22H,10-13,15-17H2,1-2H3,(H,29,32)/t22-/m1/s1.
What are the key properties of (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
(3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 479.55 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 58442790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).