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

C23H28N4O2 — CID 51591486

IUPACN-[(4S)-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)N[C@H]2CC(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)/t19-/m0/s1
InChIKeyCIJBIWYGTUJJLQ-IBGZPJMESA-N
MW392.50 g/mol
LogP4.49
Rot. Bonds5

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

N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 51591486) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(4S)-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-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID51591486
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[(4S)-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)N[C@H]2CC(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)/t19-/m0/s1
InChIKeyCIJBIWYGTUJJLQ-IBGZPJMESA-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

Analyze N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 46959703
N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 95855732
N-[(4S)-1-[(2-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51584486
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 95855701
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide
CID 95855723
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide
CID 110236813
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 26317169
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 24818901
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-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-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 51591486) is N-[(4S)-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-[(4S)-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-[(4S)-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)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1.
What is the InChIKey of N-[(4S)-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-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[(4S)-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-[(4S)-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 51591486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).