(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C19H22N4O3S — CID 126453114

IUPAC(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)OC1=O
InChIInChI=1S/C19H22N4O3S/c1-22-12-19(26-18(22)25)8-5-9-23(13-19)17(24)20-10-16-21-15(11-27-16)14-6-3-2-4-7-14/h2-4,6-7,11H,5,8-10,12-13H2,1H3,(H,20,24)/t19-/m0/s1
InChIKeyOUQBUPYHWWDSEM-IBGZPJMESA-N
MW386.48 g/mol
LogP2.94
Rot. Bonds3

About (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 126453114) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID126453114
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)OC1=O
InChIInChI=1S/C19H22N4O3S/c1-22-12-19(26-18(22)25)8-5-9-23(13-19)17(24)20-10-16-21-15(11-27-16)14-6-3-2-4-7-14/h2-4,6-7,11H,5,8-10,12-13H2,1H3,(H,20,24)/t19-/m0/s1
InChIKeyOUQBUPYHWWDSEM-IBGZPJMESA-N
XLogP2.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99956366
(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453746
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 121498352
3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126445282
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111739032
(5S)-N-(9H-fluoren-9-yl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126447552
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 126453114) is (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is CN1C[C@]2(CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)OC1=O.
What is the InChIKey of (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is OUQBUPYHWWDSEM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-22-12-19(26-18(22)25)8-5-9-23(13-19)17(24)20-10-16-21-15(11-27-16)14-6-3-2-4-7-14/h2-4,6-7,11H,5,8-10,12-13H2,1H3,(H,20,24)/t19-/m0/s1.
What are the key properties of (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 126453114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).