(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride

C23H31ClFN3O2 — CID 46208217

IUPAC(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC(C)Cc1ocnc1CN1CC[C@]2(CCC(=O)N2c2cccc(F)c2)C[C@@H]1C.Cl
InChIInChI=1S/C23H30FN3O2.ClH/c1-16(2)11-21-20(25-15-29-21)14-26-10-9-23(13-17(26)3)8-7-22(28)27(23)19-6-4-5-18(24)12-19;/h4-6,12,15-17H,7-11,13-14H2,1-3H3;1H/t17-,23+;/m0./s1
InChIKeyUYHAZDOQNUQVFS-ZXPGKYBVSA-N
MW435.97 g/mol
LogP4.98
Rot. Bonds5

About (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride

(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 46208217) has the molecular formula C23H31ClFN3O2 and a molecular weight of 435.97 g/mol. Its IUPAC name is (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID46208217
Molecular FormulaC23H31ClFN3O2
Molecular Weight435.97 g/mol
Exact Mass435.21
IUPAC Name(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC(C)Cc1ocnc1CN1CC[C@]2(CCC(=O)N2c2cccc(F)c2)C[C@@H]1C.Cl
InChIInChI=1S/C23H30FN3O2.ClH/c1-16(2)11-21-20(25-15-29-21)14-26-10-9-23(13-17(26)3)8-7-22(28)27(23)19-6-4-5-18(24)12-19;/h4-6,12,15-17H,7-11,13-14H2,1-3H3;1H/t17-,23+;/m0./s1
InChIKeyUYHAZDOQNUQVFS-ZXPGKYBVSA-N
XLogP4.98
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.97
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride with MolForge

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Related Compounds

8-[(5-bromo-2-fluorophenyl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 77285506
(5R,7S)-8-[(3-chloro-4-hydroxyphenyl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 46208219
(5R,7S)-8-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 46208224
(5S,7R)-8-[(2-fluoro-5-methoxyphenyl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 67406261
(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[3-(2-methylphenyl)phenyl]methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 46207823
(5S,7R)-1-(3-fluorophenyl)-8-(1H-indol-5-ylmethyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 67407857
(5R,7S)-8-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluorophenyl)-3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 66930728
4-(cyclobutylmethyl)-5-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole
CID 123311337
(5R,7S)-3-fluoro-1-(3-fluorophenyl)-7-methyl-8-[(3-propan-2-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 46207946
(5R,7S)-1-(3-fluorophenyl)-7-methyl-3-(1,2-oxazol-3-ylmethyl)-8-[(3-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70302278
(5R,7S)-3-fluoro-1-(3-fluorophenyl)-7-methyl-8-[(3-propan-2-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one;formic acid
CID 46207945
(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 67405807

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 46208217) is (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride is CC(C)Cc1ocnc1CN1CC[C@]2(CCC(=O)N2c2cccc(F)c2)C[C@@H]1C.Cl.
What is the InChIKey of (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is UYHAZDOQNUQVFS-ZXPGKYBVSA-N. The full InChI is InChI=1S/C23H30FN3O2.ClH/c1-16(2)11-21-20(25-15-29-21)14-26-10-9-23(13-17(26)3)8-7-22(28)27(23)19-6-4-5-18(24)12-19;/h4-6,12,15-17H,7-11,13-14H2,1-3H3;1H/t17-,23+;/m0./s1.
What are the key properties of (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 435.97 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[5-(2-methylpropyl)-1,3-oxazol-4-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 46208217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).