N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide

C20H23N3O3 — CID 174372863

IUPACN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1ncc(-c2ccccc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N3O3/c1-14(19(25)23-11-9-20(7-8-20)10-12-23)22-17(24)18-21-13-16(26-18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyJXSBALDJOTWZTQ-CQSZACIVSA-N
MW353.42 g/mol
LogP2.86
Rot. Bonds4

About N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide (PubChem CID 174372863) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
PubChem CID174372863
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1ncc(-c2ccccc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N3O3/c1-14(19(25)23-11-9-20(7-8-20)10-12-23)22-17(24)18-21-13-16(26-18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyJXSBALDJOTWZTQ-CQSZACIVSA-N
XLogP2.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
CID 171631253
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464
1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one
CID 174373482
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
CID 171631725
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridine-3-carboxamide
CID 171631062
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171631075
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
CID 171631065
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile
CID 171632688
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
CID 174373909

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide (CID 174372863) is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide is C[C@@H](NC(=O)c1ncc(-c2ccccc2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
The InChIKey is JXSBALDJOTWZTQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(19(25)23-11-9-20(7-8-20)10-12-23)22-17(24)18-21-13-16(26-18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide?
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 174372863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).