1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one

C11H12N2O2 — CID 79099386

IUPAC1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(Cc2ccno2)c1
InChIInChI=1S/C11H12N2O2/c1-2-11(14)9-4-6-13(7-9)8-10-3-5-12-15-10/h3-7H,2,8H2,1H3
InChIKeyZFZAIZRBTPAHDW-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.12
Rot. Bonds4

About 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one

1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one (PubChem CID 79099386) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one
PubChem CID79099386
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(Cc2ccno2)c1
InChIInChI=1S/C11H12N2O2/c1-2-11(14)9-4-6-13(7-9)8-10-3-5-12-15-10/h3-7H,2,8H2,1H3
InChIKeyZFZAIZRBTPAHDW-UHFFFAOYSA-N
XLogP2.12
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one?
The IUPAC name of 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one (CID 79099386) is 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one is CCC(=O)c1ccn(Cc2ccno2)c1.
What is the InChIKey of 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one?
The InChIKey is ZFZAIZRBTPAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-11(14)9-4-6-13(7-9)8-10-3-5-12-15-10/h3-7H,2,8H2,1H3.
What are the key properties of 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one?
1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-oxazol-5-ylmethyl)pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79099386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).