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

C23H26N4O2 — CID 95855732

IUPACN-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C23H26N4O2/c1-23(2)11-19(25-22(28)18-10-21(29-26-18)16-8-9-16)17-13-24-27(20(17)12-23)14-15-6-4-3-5-7-15/h3-7,10,13,16,19H,8-9,11-12,14H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyZBXKDWFIITWOPN-IBGZPJMESA-N
MW390.49 g/mol
LogP4.24
Rot. Bonds5

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

N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 95855732) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID95855732
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C23H26N4O2/c1-23(2)11-19(25-22(28)18-10-21(29-26-18)16-8-9-16)17-13-24-27(20(17)12-23)14-15-6-4-3-5-7-15/h3-7,10,13,16,19H,8-9,11-12,14H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyZBXKDWFIITWOPN-IBGZPJMESA-N
XLogP4.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-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]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 51591486
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide
CID 95855723
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-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110236802
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 26317169
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 95855732) is N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cc(C3CC3)on2)C1.
What is the InChIKey of N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZBXKDWFIITWOPN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2)11-19(25-22(28)18-10-21(29-26-18)16-8-9-16)17-13-24-27(20(17)12-23)14-15-6-4-3-5-7-15/h3-7,10,13,16,19H,8-9,11-12,14H2,1-2H3,(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]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.24, 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]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95855732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).