3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H17BrN2O3 — CID 666252

IUPAC3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2cccc(Br)c2)=NO1
InChIInChI=1S/C14H17BrN2O3/c1-9(8-19-2)16-14(18)13-7-12(17-20-13)10-4-3-5-11(15)6-10/h3-6,9,13H,7-8H2,1-2H3,(H,16,18)
InChIKeyHXEAUVLTQATOPD-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.09
Rot. Bonds5

About 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 666252) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID666252
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2cccc(Br)c2)=NO1
InChIInChI=1S/C14H17BrN2O3/c1-9(8-19-2)16-14(18)13-7-12(17-20-13)10-4-3-5-11(15)6-10/h3-6,9,13H,7-8H2,1-2H3,(H,16,18)
InChIKeyHXEAUVLTQATOPD-UHFFFAOYSA-N
XLogP2.09
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide 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 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 666252) is 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COCC(C)NC(=O)C1CC(c2cccc(Br)c2)=NO1.
What is the InChIKey of 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HXEAUVLTQATOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9(8-19-2)16-14(18)13-7-12(17-20-13)10-4-3-5-11(15)6-10/h3-6,9,13H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 666252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).