N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C13H16N4O2 — CID 19583649

IUPACN-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1c(NC(=O)c2noc3c2CCCC3)cnn1C
InChIInChI=1S/C13H16N4O2/c1-8-10(7-14-17(8)2)15-13(18)12-9-5-3-4-6-11(9)19-16-12/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyULGUIYTYULMZKR-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.85
Rot. Bonds2

About N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 19583649) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID19583649
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1c(NC(=O)c2noc3c2CCCC3)cnn1C
InChIInChI=1S/C13H16N4O2/c1-8-10(7-14-17(8)2)15-13(18)12-9-5-3-4-6-11(9)19-16-12/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyULGUIYTYULMZKR-UHFFFAOYSA-N
XLogP1.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 19583649) is N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1c(NC(=O)c2noc3c2CCCC3)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is ULGUIYTYULMZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-10(7-14-17(8)2)15-13(18)12-9-5-3-4-6-11(9)19-16-12/h7H,3-6H2,1-2H3,(H,15,18).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 19583649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).