3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H19N5O3 — CID 46963276

IUPAC3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCc1cc(CNC(=O)C2CC(c3cnn(C)c3)=NO2)on1
InChIInChI=1S/C15H19N5O3/c1-3-4-11-5-12(22-18-11)8-16-15(21)14-6-13(19-23-14)10-7-17-20(2)9-10/h5,7,9,14H,3-4,6,8H2,1-2H3,(H,16,21)
InChIKeyFWALNUXLBSFJLR-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.17
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46963276) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46963276
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCc1cc(CNC(=O)C2CC(c3cnn(C)c3)=NO2)on1
InChIInChI=1S/C15H19N5O3/c1-3-4-11-5-12(22-18-11)8-16-15(21)14-6-13(19-23-14)10-7-17-20(2)9-10/h5,7,9,14H,3-4,6,8H2,1-2H3,(H,16,21)
InChIKeyFWALNUXLBSFJLR-UHFFFAOYSA-N
XLogP1.17
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-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-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46963276) is 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCc1cc(CNC(=O)C2CC(c3cnn(C)c3)=NO2)on1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FWALNUXLBSFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-4-11-5-12(22-18-11)8-16-15(21)14-6-13(19-23-14)10-7-17-20(2)9-10/h5,7,9,14H,3-4,6,8H2,1-2H3,(H,16,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46963276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).