(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide

C16H15BrN4O3 — CID 97065455

IUPAC(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide
SMILESC[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(-c2nccn2C)no1
InChIInChI=1S/C16H15BrN4O3/c1-10(23-13-6-4-3-5-11(13)17)16(22)19-14-9-12(20-24-14)15-18-7-8-21(15)2/h3-10H,1-2H3,(H,19,22)/t10-/m1/s1
InChIKeyMWJLWUUBHZXSHW-SNVBAGLBSA-N
MW391.23 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide

(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide (PubChem CID 97065455) has the molecular formula C16H15BrN4O3 and a molecular weight of 391.23 g/mol. Its IUPAC name is (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide
PubChem CID97065455
Molecular FormulaC16H15BrN4O3
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide
SMILESC[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(-c2nccn2C)no1
InChIInChI=1S/C16H15BrN4O3/c1-10(23-13-6-4-3-5-11(13)17)16(22)19-14-9-12(20-24-14)15-18-7-8-21(15)2/h3-10H,1-2H3,(H,19,22)/t10-/m1/s1
InChIKeyMWJLWUUBHZXSHW-SNVBAGLBSA-N
XLogP3.24
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide (CID 97065455) is (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide is C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(-c2nccn2C)no1.
What is the InChIKey of (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is MWJLWUUBHZXSHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrN4O3/c1-10(23-13-6-4-3-5-11(13)17)16(22)19-14-9-12(20-24-14)15-18-7-8-21(15)2/h3-10H,1-2H3,(H,19,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide?
(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 391.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 97065455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).