5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide

C14H18N4O3 — CID 46981813

IUPAC5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NC2CCCOC2)no1
InChIInChI=1S/C14H18N4O3/c1-9-11(7-18(2)16-9)13-6-12(17-21-13)14(19)15-10-4-3-5-20-8-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,19)
InChIKeyURWNKAHURLVVJA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.29
Rot. Bonds3

About 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide

5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46981813) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID46981813
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NC2CCCOC2)no1
InChIInChI=1S/C14H18N4O3/c1-9-11(7-18(2)16-9)13-6-12(17-21-13)14(19)15-10-4-3-5-20-8-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,19)
InChIKeyURWNKAHURLVVJA-UHFFFAOYSA-N
XLogP1.29
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide (CID 46981813) is 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NC2CCCOC2)no1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is URWNKAHURLVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-11(7-18(2)16-9)13-6-12(17-21-13)14(19)15-10-4-3-5-20-8-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,19).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide?
5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46981813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).