[5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

C14H13BrN2O2 — CID 3338438

IUPAC[5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCC1
InChIInChI=1S/C14H13BrN2O2/c15-11-5-3-10(4-6-11)13-9-12(16-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyFVJBNSVRMDASEL-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.34
Rot. Bonds2

About [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

[5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3338438) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID3338438
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name[5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCC1
InChIInChI=1S/C14H13BrN2O2/c15-11-5-3-10(4-6-11)13-9-12(16-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyFVJBNSVRMDASEL-UHFFFAOYSA-N
XLogP3.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 3338438) is [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCC1.
What is the InChIKey of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FVJBNSVRMDASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-5-3-10(4-6-11)13-9-12(16-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2.
What are the key properties of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 321.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3338438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).