1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one

C22H21N3O2 — CID 134790656

IUPAC1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(CN2CCC3(C2)C(=O)N(c2ccccc2)c2ccccc23)no1
InChIInChI=1S/C22H21N3O2/c1-16-13-17(23-27-16)14-24-12-11-22(15-24)19-9-5-6-10-20(19)25(21(22)26)18-7-3-2-4-8-18/h2-10,13H,11-12,14-15H2,1H3
InChIKeyHCYATGGERBYGJT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.81
Rot. Bonds3

About 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one

1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134790656) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134790656
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(CN2CCC3(C2)C(=O)N(c2ccccc2)c2ccccc23)no1
InChIInChI=1S/C22H21N3O2/c1-16-13-17(23-27-16)14-24-12-11-22(15-24)19-9-5-6-10-20(19)25(21(22)26)18-7-3-2-4-8-18/h2-10,13H,11-12,14-15H2,1H3
InChIKeyHCYATGGERBYGJT-UHFFFAOYSA-N
XLogP3.81
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(cyclopropylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134788995
1'-(cyclohexylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134791375
2-[(3S)-1'-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95713205
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134073364
2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 56892949
1-(cyclopropylmethyl)-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131659559
2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95717579
3-[[4-(2-ethylsulfonylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 100663408
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
(4S)-3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8940626
N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
CID 134795564

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one (CID 134790656) is 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one is Cc1cc(CN2CCC3(C2)C(=O)N(c2ccccc2)c2ccccc23)no1.
What is the InChIKey of 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HCYATGGERBYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-13-17(23-27-16)14-24-12-11-22(15-24)19-9-5-6-10-20(19)25(21(22)26)18-7-3-2-4-8-18/h2-10,13H,11-12,14-15H2,1H3.
What are the key properties of 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).