3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

C13H18N4O3 — CID 75509467

IUPAC3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(NC(=O)c2cc(OC)no2)n[nH]1
InChIInChI=1S/C13H18N4O3/c1-4-8(5-2)9-6-11(16-15-9)14-13(18)10-7-12(19-3)17-20-10/h6-8H,4-5H2,1-3H3,(H2,14,15,16,18)
InChIKeyZSFOHUDUHHFQSA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.56
Rot. Bonds6

About 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 75509467) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID75509467
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(NC(=O)c2cc(OC)no2)n[nH]1
InChIInChI=1S/C13H18N4O3/c1-4-8(5-2)9-6-11(16-15-9)14-13(18)10-7-12(19-3)17-20-10/h6-8H,4-5H2,1-3H3,(H2,14,15,16,18)
InChIKeyZSFOHUDUHHFQSA-UHFFFAOYSA-N
XLogP2.56
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide (CID 75509467) is 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(NC(=O)c2cc(OC)no2)n[nH]1.
What is the InChIKey of 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZSFOHUDUHHFQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-8(5-2)9-6-11(16-15-9)14-13(18)10-7-12(19-3)17-20-10/h6-8H,4-5H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-pentan-3-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75509467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).