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

C20H26N4O2 — CID 95721467

IUPAC(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)on1)C(=O)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C20H26N4O2/c1-24(13-16-11-18(26-23-16)15-5-3-2-4-6-15)19(25)17-12-20(14-22-17)7-9-21-10-8-20/h2-6,11,17,21-22H,7-10,12-14H2,1H3/t17-/m1/s1
InChIKeyUPEDREJLODEXGX-QGZVFWFLSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds4

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

(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95721467) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95721467
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)on1)C(=O)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C20H26N4O2/c1-24(13-16-11-18(26-23-16)15-5-3-2-4-6-15)19(25)17-12-20(14-22-17)7-9-21-10-8-20/h2-6,11,17,21-22H,7-10,12-14H2,1H3/t17-/m1/s1
InChIKeyUPEDREJLODEXGX-QGZVFWFLSA-N
XLogP2.03
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95721467) is (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CN(Cc1cc(-c2ccccc2)on1)C(=O)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is UPEDREJLODEXGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(13-16-11-18(26-23-16)15-5-3-2-4-6-15)19(25)17-12-20(14-22-17)7-9-21-10-8-20/h2-6,11,17,21-22H,7-10,12-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95721467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).