5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H20N4O2 — CID 24829207

IUPAC5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)C1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)9-4-5-12-11(6-9)13(19-21-12)14(20)18-10-7-16-17-8-10/h7-9H,4-6H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyVWGDKTMNUZJXMJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.80
Rot. Bonds2

About 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 24829207) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID24829207
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)C1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)9-4-5-12-11(6-9)13(19-21-12)14(20)18-10-7-16-17-8-10/h7-9H,4-6H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyVWGDKTMNUZJXMJ-UHFFFAOYSA-N
XLogP2.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3243466
N-(1-benzylpyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19397570
N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19583643
N-(1,5-dimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19583649
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19583722
N-({1-[(3-methyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl}methyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 56703701
5-tert-butyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19295787
5-tert-butyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19340850
5-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19340851
5-tert-butyl-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19582743
N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19583780
5-methyl-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19584663

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 24829207) is 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)(C)C1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1.
What is the InChIKey of 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is VWGDKTMNUZJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)9-4-5-12-11(6-9)13(19-21-12)14(20)18-10-7-16-17-8-10/h7-9H,4-6H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 24829207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).