(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

C18H19N3O4 — CID 125171625

IUPAC(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2noc(-c3ccccc3)n2)C2(CCCC2)O1
InChIInChI=1S/C18H19N3O4/c22-15-10-13(18(24-15)8-4-5-9-18)16(23)19-11-14-20-17(25-21-14)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,19,23)/t13-/m1/s1
InChIKeyMZDHFEFVARGKEF-CYBMUJFWSA-N
MW341.37 g/mol
LogP2.23
Rot. Bonds4

About (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 125171625) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID125171625
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2noc(-c3ccccc3)n2)C2(CCCC2)O1
InChIInChI=1S/C18H19N3O4/c22-15-10-13(18(24-15)8-4-5-9-18)16(23)19-11-14-20-17(25-21-14)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,19,23)/t13-/m1/s1
InChIKeyMZDHFEFVARGKEF-CYBMUJFWSA-N
XLogP2.23
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 125173720
(4R)-N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125165859
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131951276
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51098221
(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125435695
N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 92619131
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 73305956
N-(1,3-benzothiazol-7-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 164695892
(5S)-3-(4-chlorophenyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498728
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 121498257
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 90653338

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (CID 125171625) is (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1C[C@H](C(=O)NCc2noc(-c3ccccc3)n2)C2(CCCC2)O1.
What is the InChIKey of (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is MZDHFEFVARGKEF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-15-10-13(18(24-15)8-4-5-9-18)16(23)19-11-14-20-17(25-21-14)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,19,23)/t13-/m1/s1.
What are the key properties of (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 125171625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).