5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide

C12H16N4O2 — CID 86937462

IUPAC5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NCCn1cccn1
InChIInChI=1S/C12H16N4O2/c1-9(2)11-10(14-8-18-11)12(17)13-5-7-16-6-3-4-15-16/h3-4,6,8-9H,5,7H2,1-2H3,(H,13,17)
InChIKeyQZFYQPWZWMIFQJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.42
Rot. Bonds5

About 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide

5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 86937462) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID86937462
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NCCn1cccn1
InChIInChI=1S/C12H16N4O2/c1-9(2)11-10(14-8-18-11)12(17)13-5-7-16-6-3-4-15-16/h3-4,6,8-9H,5,7H2,1-2H3,(H,13,17)
InChIKeyQZFYQPWZWMIFQJ-UHFFFAOYSA-N
XLogP1.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propan-2-yl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
CID 122563952
4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62077584
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
CID 71875590
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 138017734
4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62080974

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide (CID 86937462) is 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NCCn1cccn1.
What is the InChIKey of 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QZFYQPWZWMIFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9(2)11-10(14-8-18-11)12(17)13-5-7-16-6-3-4-15-16/h3-4,6,8-9H,5,7H2,1-2H3,(H,13,17).
What are the key properties of 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86937462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).