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

C14H14N2O2 — CID 141128024

IUPAC[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1ccc(C2=NOCC2)cc1)N1CC=CC1
InChIInChI=1S/C14H14N2O2/c17-14(16-8-1-2-9-16)12-5-3-11(4-6-12)13-7-10-18-15-13/h1-6H,7-10H2
InChIKeyJFOLWIMKVWBPED-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.82
Rot. Bonds2

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

[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 141128024) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID141128024
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1ccc(C2=NOCC2)cc1)N1CC=CC1
InChIInChI=1S/C14H14N2O2/c17-14(16-8-1-2-9-16)12-5-3-11(4-6-12)13-7-10-18-15-13/h1-6H,7-10H2
InChIKeyJFOLWIMKVWBPED-UHFFFAOYSA-N
XLogP1.82
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.82
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 [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone (CID 141128024) is [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone is O=C(c1ccc(C2=NOCC2)cc1)N1CC=CC1.
What is the InChIKey of [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is JFOLWIMKVWBPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(16-8-1-2-9-16)12-5-3-11(4-6-12)13-7-10-18-15-13/h1-6H,7-10H2.
What are the key properties of [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone?
[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 141128024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).