2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

C14H15BrN2O — CID 11681084

IUPAC2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESBrc1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C14H15BrN2O/c15-12-5-3-11(4-6-12)14-16-13(10-18-14)9-17-7-1-2-8-17/h3-6,10H,1-2,7-9H2
InChIKeyZOPPZXGVEAGAGO-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.70
Rot. Bonds3

About 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (PubChem CID 11681084) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
PubChem CID11681084
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESBrc1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C14H15BrN2O/c15-12-5-3-11(4-6-12)14-16-13(10-18-14)9-17-7-1-2-8-17/h3-6,10H,1-2,7-9H2
InChIKeyZOPPZXGVEAGAGO-UHFFFAOYSA-N
XLogP3.70
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (CID 11681084) is 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is Brc1ccc(-c2nc(CN3CCCC3)co2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is ZOPPZXGVEAGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-5-3-11(4-6-12)14-16-13(10-18-14)9-17-7-1-2-8-17/h3-6,10H,1-2,7-9H2.
What are the key properties of 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 307.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 11681084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).