N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C22H24N4O2 — CID 129104768

IUPACN-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)c2noc3c2CCCC3)c1
InChIInChI=1S/C22H24N4O2/c1-14-6-4-7-15(12-14)26-19-10-5-9-18(17(19)13-23-26)24-22(27)21-16-8-2-3-11-20(16)28-25-21/h4,6-7,12-13,18H,2-3,5,8-11H2,1H3,(H,24,27)
InChIKeyRVUAMXIKYGFDHN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 129104768) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID129104768
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)c2noc3c2CCCC3)c1
InChIInChI=1S/C22H24N4O2/c1-14-6-4-7-15(12-14)26-19-10-5-9-18(17(19)13-23-26)24-22(27)21-16-8-2-3-11-20(16)28-25-21/h4,6-7,12-13,18H,2-3,5,8-11H2,1H3,(H,24,27)
InChIKeyRVUAMXIKYGFDHN-UHFFFAOYSA-N
XLogP3.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 129104768) is N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1cccc(-n2ncc3c2CCCC3NC(=O)c2noc3c2CCCC3)c1.
What is the InChIKey of N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is RVUAMXIKYGFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-6-4-7-15(12-14)26-19-10-5-9-18(17(19)13-23-26)24-22(27)21-16-8-2-3-11-20(16)28-25-21/h4,6-7,12-13,18H,2-3,5,8-11H2,1H3,(H,24,27).
What are the key properties of N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 129104768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).