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

C16H17BrN4O2 — CID 1302259

IUPAC(5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCn1cc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cn1
InChIInChI=1S/C16H17BrN4O2/c1-2-6-21-10-13(9-18-21)19-16(22)15-8-14(20-23-15)11-4-3-5-12(17)7-11/h3-5,7,9-10,15H,2,6,8H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyLEPBIJKMMZXYCE-HNNXBMFYSA-N
MW377.24 g/mol
LogP3.19
Rot. Bonds5

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

(5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 1302259) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID1302259
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC Name(5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCn1cc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cn1
InChIInChI=1S/C16H17BrN4O2/c1-2-6-21-10-13(9-18-21)19-16(22)15-8-14(20-23-15)11-4-3-5-12(17)7-11/h3-5,7,9-10,15H,2,6,8H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyLEPBIJKMMZXYCE-HNNXBMFYSA-N
XLogP3.19
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-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 (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 1302259) is (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCn1cc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cn1.
What is the InChIKey of (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LEPBIJKMMZXYCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c1-2-6-21-10-13(9-18-21)19-16(22)15-8-14(20-23-15)11-4-3-5-12(17)7-11/h3-5,7,9-10,15H,2,6,8H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-bromophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 1302259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).