2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

C14H17N3O2S — CID 115286722

IUPAC2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(C2CCCN2C(=O)C(N)c2cccs2)on1
InChIInChI=1S/C14H17N3O2S/c1-9-8-11(19-16-9)10-4-2-6-17(10)14(18)13(15)12-5-3-7-20-12/h3,5,7-8,10,13H,2,4,6,15H2,1H3
InChIKeyBTTGNQRKVTWXPH-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 115286722) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID115286722
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(C2CCCN2C(=O)C(N)c2cccs2)on1
InChIInChI=1S/C14H17N3O2S/c1-9-8-11(19-16-9)10-4-2-6-17(10)14(18)13(15)12-5-3-7-20-12/h3,5,7-8,10,13H,2,4,6,15H2,1H3
InChIKeyBTTGNQRKVTWXPH-UHFFFAOYSA-N
XLogP2.41
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119112336
2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115286096
2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 54873424
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
1-benzothiophen-5-yl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 70759416
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (CID 115286722) is 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is Cc1cc(C2CCCN2C(=O)C(N)c2cccs2)on1.
What is the InChIKey of 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is BTTGNQRKVTWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-8-11(19-16-9)10-4-2-6-17(10)14(18)13(15)12-5-3-7-20-12/h3,5,7-8,10,13H,2,4,6,15H2,1H3.
What are the key properties of 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 291.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 115286722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).