N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide

C27H30FN3O3 — CID 46188236

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OCc4ccc(F)cc4)cc2)C3)c1C
InChIInChI=1S/C27H30FN3O3/c1-18-19(2)30-34-25(18)29-26(32)31-13-11-27(12-14-31)15-22(16-27)21-5-9-24(10-6-21)33-17-20-3-7-23(28)8-4-20/h3-10,22H,11-17H2,1-2H3,(H,29,32)
InChIKeyROANGDLMIAKPDR-UHFFFAOYSA-N
MW463.55 g/mol
LogP6.20
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 46188236) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID46188236
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OCc4ccc(F)cc4)cc2)C3)c1C
InChIInChI=1S/C27H30FN3O3/c1-18-19(2)30-34-25(18)29-26(32)31-13-11-27(12-14-31)15-22(16-27)21-5-9-24(10-6-21)33-17-20-3-7-23(28)8-4-20/h3-10,22H,11-17H2,1-2H3,(H,29,32)
InChIKeyROANGDLMIAKPDR-UHFFFAOYSA-N
XLogP6.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(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
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-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 46187694
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
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
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)-4-methylpiperidine-1-carboxamide
CID 115672491
4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
CID 68780628
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-(4-fluorophenyl)piperazine-1-carboxamide
CID 47022600
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide (CID 46188236) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide is Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OCc4ccc(F)cc4)cc2)C3)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is ROANGDLMIAKPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-18-19(2)30-34-25(18)29-26(32)31-13-11-27(12-14-31)15-22(16-27)21-5-9-24(10-6-21)33-17-20-3-7-23(28)8-4-20/h3-10,22H,11-17H2,1-2H3,(H,29,32).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-fluorophenyl)methoxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 46188236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).