[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone

C19H21N3O2 — CID 97280058

IUPAC[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C19H21N3O2/c1-12-18(13(2)24-20-12)16-5-4-9-22(16)19(23)15-7-6-14-8-10-21(3)17(14)11-15/h6-8,10-11,16H,4-5,9H2,1-3H3/t16-/m1/s1
InChIKeyVCNUJHUVBMKFSG-MRXNPFEDSA-N
MW323.40 g/mol
LogP3.76
Rot. Bonds2

About [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone

[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone (PubChem CID 97280058) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
PubChem CID97280058
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C19H21N3O2/c1-12-18(13(2)24-20-12)16-5-4-9-22(16)19(23)15-7-6-14-8-10-21(3)17(14)11-15/h6-8,10-11,16H,4-5,9H2,1-3H3/t16-/m1/s1
InChIKeyVCNUJHUVBMKFSG-MRXNPFEDSA-N
XLogP3.76
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone with MolForge

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Related Compounds

(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 97187488
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97138582
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 50809277
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 126453365
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519
6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95222314
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 92893587

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone?
The IUPAC name of [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone (CID 97280058) is [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone.
What is the SMILES notation for [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone?
The canonical SMILES for [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone is Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone?
The InChIKey is VCNUJHUVBMKFSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-18(13(2)24-20-12)16-5-4-9-22(16)19(23)15-7-6-14-8-10-21(3)17(14)11-15/h6-8,10-11,16H,4-5,9H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone?
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone is sourced from PubChem (CID 97280058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).