N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C17H16N4O2 — CID 146220678

IUPACN-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(C2CC2)on1
InChIInChI=1S/C17H16N4O2/c22-17(15-8-16(23-20-15)13-6-7-13)19-14-9-18-21(11-14)10-12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2,(H,19,22)
InChIKeyBFXOZSLOOXDUPK-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.05
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 146220678) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID146220678
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(C2CC2)on1
InChIInChI=1S/C17H16N4O2/c22-17(15-8-16(23-20-15)13-6-7-13)19-14-9-18-21(11-14)10-12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2,(H,19,22)
InChIKeyBFXOZSLOOXDUPK-UHFFFAOYSA-N
XLogP3.05
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 146220678) is N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(C2CC2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is BFXOZSLOOXDUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(15-8-16(23-20-15)13-6-7-13)19-14-9-18-21(11-14)10-12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2,(H,19,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).