N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C23H28N4O2 — CID 46959703

IUPACN-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1
InChIInChI=1S/C23H28N4O2/c1-15(2)18-10-21(29-26-18)22(28)25-19-11-23(3,4)12-20-17(19)13-24-27(20)14-16-8-6-5-7-9-16/h5-10,13,15,19H,11-12,14H2,1-4H3,(H,25,28)
InChIKeyCIJBIWYGTUJJLQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.49
Rot. Bonds5

About N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 46959703) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID46959703
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1
InChIInChI=1S/C23H28N4O2/c1-15(2)18-10-21(29-26-18)22(28)25-19-11-23(3,4)12-20-17(19)13-24-27(20)14-16-8-6-5-7-9-16/h5-10,13,15,19H,11-12,14H2,1-4H3,(H,25,28)
InChIKeyCIJBIWYGTUJJLQ-UHFFFAOYSA-N
XLogP4.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 46959703) is N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1.
What is the InChIKey of N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is CIJBIWYGTUJJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15(2)18-10-21(29-26-18)22(28)25-19-11-23(3,4)12-20-17(19)13-24-27(20)14-16-8-6-5-7-9-16/h5-10,13,15,19H,11-12,14H2,1-4H3,(H,25,28).
What are the key properties of N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46959703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).