2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide

C16H18N4O2 — CID 86860516

IUPAC2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
SMILESCC(C)(C)n1cc(NC(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C16H18N4O2/c1-16(2,3)20-10-11(9-17-20)18-15(21)8-13-12-6-4-5-7-14(12)22-19-13/h4-7,9-10H,8H2,1-3H3,(H,18,21)
InChIKeyYPORZTIHNUXIHA-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.96
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide (PubChem CID 86860516) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
PubChem CID86860516
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
SMILESCC(C)(C)n1cc(NC(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C16H18N4O2/c1-16(2,3)20-10-11(9-17-20)18-15(21)8-13-12-6-4-5-7-14(12)22-19-13/h4-7,9-10H,8H2,1-3H3,(H,18,21)
InChIKeyYPORZTIHNUXIHA-UHFFFAOYSA-N
XLogP2.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 51095081
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97427988
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(1-chloro-2-methylbutan-2-yl)acetamide
CID 114303639

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide (CID 86860516) is 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide is CC(C)(C)n1cc(NC(=O)Cc2noc3ccccc23)cn1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide?
The InChIKey is YPORZTIHNUXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-16(2,3)20-10-11(9-17-20)18-15(21)8-13-12-6-4-5-7-14(12)22-19-13/h4-7,9-10H,8H2,1-3H3,(H,18,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86860516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).