(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H27N5O2 — CID 95880976

IUPAC(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1CC2(CCNCC2)CN1C
InChIInChI=1S/C20H27N5O2/c1-24(13-16-10-17(23-27-16)15-4-3-7-22-12-15)19(26)18-11-20(14-25(18)2)5-8-21-9-6-20/h3-4,7,10,12,18,21H,5-6,8-9,11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyGMFIZOMCFVNESN-GOSISDBHSA-N
MW369.47 g/mol
LogP1.77
Rot. Bonds4

About (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95880976) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95880976
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1CC2(CCNCC2)CN1C
InChIInChI=1S/C20H27N5O2/c1-24(13-16-10-17(23-27-16)15-4-3-7-22-12-15)19(26)18-11-20(14-25(18)2)5-8-21-9-6-20/h3-4,7,10,12,18,21H,5-6,8-9,11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyGMFIZOMCFVNESN-GOSISDBHSA-N
XLogP1.77
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881783
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414
(3R)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95896718
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896932
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893810
(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97269100
2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol
CID 146040722
(3R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871864
N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
CID 91773666
(3R)-N,2-dimethyl-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874258
(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95888750

Frequently Asked Questions

What is the IUPAC name of (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95880976) is (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1CC2(CCNCC2)CN1C.
What is the InChIKey of (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is GMFIZOMCFVNESN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(13-16-10-17(23-27-16)15-4-3-7-22-12-15)19(26)18-11-20(14-25(18)2)5-8-21-9-6-20/h3-4,7,10,12,18,21H,5-6,8-9,11,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95880976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).