(2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C24H26N4O4 — CID 42366713

IUPAC(2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2
InChIInChI=1S/C24H26N4O4/c1-16-20(26-32-25-16)15-27(2)23(30)19-14-24(19)9-11-28(12-10-24)22(29)18-7-5-17(6-8-18)21-4-3-13-31-21/h3-8,13,19H,9-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyZCTCWLBDUMJWKM-IBGZPJMESA-N
MW434.50 g/mol
LogP3.54
Rot. Bonds5

About (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42366713) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42366713
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2
InChIInChI=1S/C24H26N4O4/c1-16-20(26-32-25-16)15-27(2)23(30)19-14-24(19)9-11-28(12-10-24)22(29)18-7-5-17(6-8-18)21-4-3-13-31-21/h3-8,13,19H,9-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyZCTCWLBDUMJWKM-IBGZPJMESA-N
XLogP3.54
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26357915
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465272
(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25293425
6-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45186718
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
5-benzoyl-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134074281
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
5-(4-fluorobenzoyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131656949
(2R)-N,1-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
CID 124997001
[4-(furan-2-yl)phenyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 90653085
[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690162
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
CID 97374844

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42366713) is (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2.
What is the InChIKey of (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZCTCWLBDUMJWKM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-20(26-32-25-16)15-27(2)23(30)19-14-24(19)9-11-28(12-10-24)22(29)18-7-5-17(6-8-18)21-4-3-13-31-21/h3-8,13,19H,9-12,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[4-(furan-2-yl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42366713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).