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

C17H16N4O2 — CID 146220570

IUPACN-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide
SMILESC=C(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)on1
InChIInChI=1S/C17H16N4O2/c1-12(2)15-8-16(23-20-15)17(22)19-14-9-18-21(11-14)10-13-6-4-3-5-7-13/h3-9,11H,1,10H2,2H3,(H,19,22)
InChIKeyNQVMBAMCJBAWKS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.20
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 146220570) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide
PubChem CID146220570
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide
SMILESC=C(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)on1
InChIInChI=1S/C17H16N4O2/c1-12(2)15-8-16(23-20-15)17(22)19-14-9-18-21(11-14)10-13-6-4-3-5-7-13/h3-9,11H,1,10H2,2H3,(H,19,22)
InChIKeyNQVMBAMCJBAWKS-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide (CID 146220570) is N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide is C=C(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is NQVMBAMCJBAWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(2)15-8-16(23-20-15)17(22)19-14-9-18-21(11-14)10-13-6-4-3-5-7-13/h3-9,11H,1,10H2,2H3,(H,19,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.20, 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)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146220570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).