N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide

C20H25N3O2 — CID 129352978

IUPACN-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide
SMILESCc1noc(C)c1[C@H](C)CNC(=O)N1CC2(CCC2)c2ccccc21
InChIInChI=1S/C20H25N3O2/c1-13(18-14(2)22-25-15(18)3)11-21-19(24)23-12-20(9-6-10-20)16-7-4-5-8-17(16)23/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyZFLUIXIPEXLXDN-CYBMUJFWSA-N
MW339.44 g/mol
LogP4.05
Rot. Bonds3

About N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide

N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide (PubChem CID 129352978) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide
PubChem CID129352978
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide
SMILESCc1noc(C)c1[C@H](C)CNC(=O)N1CC2(CCC2)c2ccccc21
InChIInChI=1S/C20H25N3O2/c1-13(18-14(2)22-25-15(18)3)11-21-19(24)23-12-20(9-6-10-20)16-7-4-5-8-17(16)23/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyZFLUIXIPEXLXDN-CYBMUJFWSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 99833118
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 99830188
(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141643
N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111444365
N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
CID 167857598
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122007597
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
CID 126785691
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide (CID 129352978) is N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide is Cc1noc(C)c1[C@H](C)CNC(=O)N1CC2(CCC2)c2ccccc21.
What is the InChIKey of N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide?
The InChIKey is ZFLUIXIPEXLXDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(18-14(2)22-25-15(18)3)11-21-19(24)23-12-20(9-6-10-20)16-7-4-5-8-17(16)23/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide?
N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide is sourced from PubChem (CID 129352978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).