(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one

C20H31N3O2 — CID 124796122

IUPAC(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CC1CCC1
InChIInChI=1S/C20H31N3O2/c1-3-18-20(10-8-19(24)23(20)13-16-6-4-7-16)9-5-11-22(18)14-17-12-15(2)25-21-17/h12,16,18H,3-11,13-14H2,1-2H3/t18-,20+/m0/s1
InChIKeyDTGSXYVRPMZVAQ-AZUAARDMSA-N
MW345.49 g/mol
LogP3.52
Rot. Bonds5

About (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one

(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 124796122) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
PubChem CID124796122
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CC1CCC1
InChIInChI=1S/C20H31N3O2/c1-3-18-20(10-8-19(24)23(20)13-16-6-4-7-16)9-5-11-22(18)14-17-12-15(2)25-21-17/h12,16,18H,3-11,13-14H2,1-2H3/t18-,20+/m0/s1
InChIKeyDTGSXYVRPMZVAQ-AZUAARDMSA-N
XLogP3.52
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155834757
(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124794901
(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 124799351
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375553
(5S,10S)-10-ethyl-1-prop-2-enyl-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375597
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
(4aR,7R,7aR)-7-ethoxy-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 125194556
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127023277
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392437
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318

Frequently Asked Questions

What is the IUPAC name of (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (CID 124796122) is (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CC1CCC1.
What is the InChIKey of (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is DTGSXYVRPMZVAQ-AZUAARDMSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-18-20(10-8-19(24)23(20)13-16-6-4-7-16)9-5-11-22(18)14-17-12-15(2)25-21-17/h12,16,18H,3-11,13-14H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 345.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124796122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).