1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone

C9H12N2O2 — CID 115085669

IUPAC1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1cnc(C2CCCN2)o1
InChIInChI=1S/C9H12N2O2/c1-6(12)8-5-11-9(13-8)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3
InChIKeyPESMSJDTSMPIBO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds2

About 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone

1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone (PubChem CID 115085669) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
PubChem CID115085669
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1cnc(C2CCCN2)o1
InChIInChI=1S/C9H12N2O2/c1-6(12)8-5-11-9(13-8)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3
InChIKeyPESMSJDTSMPIBO-UHFFFAOYSA-N
XLogP1.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
2-(2-piperidin-2-yl-1,3-oxazol-5-yl)propan-1-ol
CID 115085864
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
CID 82049611
3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
CID 115047827
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812
5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115033418
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620
1-(2-piperidin-2-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082929
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone (CID 115085669) is 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone is CC(=O)c1cnc(C2CCCN2)o1.
What is the InChIKey of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone?
The InChIKey is PESMSJDTSMPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)8-5-11-9(13-8)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3.
What are the key properties of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone?
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 115085669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).