(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone

C16H16N2O2 — CID 131902419

IUPAC(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESCCC1C=CCN1C(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H16N2O2/c1-2-14-4-3-9-18(14)16(19)13-7-5-12(6-8-13)15-10-17-11-20-15/h3-8,10-11,14H,2,9H2,1H3
InChIKeySKENJBUVQJATAU-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds3

About (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone

(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone (PubChem CID 131902419) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
PubChem CID131902419
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESCCC1C=CCN1C(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H16N2O2/c1-2-14-4-3-9-18(14)16(19)13-7-5-12(6-8-13)15-10-17-11-20-15/h3-8,10-11,14H,2,9H2,1H3
InChIKeySKENJBUVQJATAU-UHFFFAOYSA-N
XLogP3.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The IUPAC name of (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone (CID 131902419) is (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone is CCC1C=CCN1C(=O)c1ccc(-c2cnco2)cc1.
What is the InChIKey of (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The InChIKey is SKENJBUVQJATAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-14-4-3-9-18(14)16(19)13-7-5-12(6-8-13)15-10-17-11-20-15/h3-8,10-11,14H,2,9H2,1H3.
What are the key properties of (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone?
(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone has a molecular weight of 268.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 131902419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).