ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine

C24H30FN5O3 — CID 156741805

IUPACethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCC.COc1ccc(-c2cc(Nc3ccnc(N4CCC5(CCOC5)CC4)n3)on2)c(F)c1
InChIInChI=1S/C22H24FN5O3.C2H6/c1-29-15-2-3-16(17(23)12-15)18-13-20(31-27-18)25-19-4-8-24-21(26-19)28-9-5-22(6-10-28)7-11-30-14-22;1-2/h2-4,8,12-13H,5-7,9-11,14H2,1H3,(H,24,25,26);1-2H3
InChIKeyAZGRKBIMIOQKHI-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.06
Rot. Bonds5

About ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine

ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (PubChem CID 156741805) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Nameethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
PubChem CID156741805
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Nameethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCC.COc1ccc(-c2cc(Nc3ccnc(N4CCC5(CCOC5)CC4)n3)on2)c(F)c1
InChIInChI=1S/C22H24FN5O3.C2H6/c1-29-15-2-3-16(17(23)12-15)18-13-20(31-27-18)25-19-4-8-24-21(26-19)28-9-5-22(6-10-28)7-11-30-14-22;1-2/h2-4,8,12-13H,5-7,9-11,14H2,1H3,(H,24,25,26);1-2H3
InChIKeyAZGRKBIMIOQKHI-UHFFFAOYSA-N
XLogP5.06
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine with MolForge

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrimidin-4-amine
CID 169200639
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(2-fluoro-4-methoxyphenyl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200487
N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 174880442
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 169200687
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898551
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The IUPAC name of ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (CID 156741805) is ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The canonical SMILES for ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is CC.COc1ccc(-c2cc(Nc3ccnc(N4CCC5(CCOC5)CC4)n3)on2)c(F)c1.
What is the InChIKey of ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The InChIKey is AZGRKBIMIOQKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3.C2H6/c1-29-15-2-3-16(17(23)12-15)18-13-20(31-27-18)25-19-4-8-24-21(26-19)28-9-5-22(6-10-28)7-11-30-14-22;1-2/h2-4,8,12-13H,5-7,9-11,14H2,1H3,(H,24,25,26);1-2H3.
What are the key properties of ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine has a molecular weight of 455.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 156741805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).