N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H20N4O2 — CID 71808318

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(-c3ccccc3)on2)c2c1CCCC2
InChIInChI=1S/C19H20N4O2/c1-23-17-10-6-5-9-14(17)16(21-23)12-20-19(24)15-11-18(25-22-15)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,20,24)
InChIKeyVWEGKWHCIKGVCN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.88
Rot. Bonds4

About N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 71808318) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID71808318
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(-c3ccccc3)on2)c2c1CCCC2
InChIInChI=1S/C19H20N4O2/c1-23-17-10-6-5-9-14(17)16(21-23)12-20-19(24)15-11-18(25-22-15)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,20,24)
InChIKeyVWEGKWHCIKGVCN-UHFFFAOYSA-N
XLogP2.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 71808318) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cn1nc(CNC(=O)c2cc(-c3ccccc3)on2)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is VWEGKWHCIKGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-17-10-6-5-9-14(17)16(21-23)12-20-19(24)15-11-18(25-22-15)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,20,24).
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71808318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).