N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

C20H21FN4O2 — CID 24793919

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-12-18(27-11-22-12)19(26)24-16-8-20(2,3)9-17-15(16)10-23-25(17)14-6-4-13(21)5-7-14/h4-7,10-11,16H,8-9H2,1-3H3,(H,24,26)
InChIKeyNJMDAMABFBXXQO-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.75
Rot. Bonds3

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 24793919) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID24793919
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-12-18(27-11-22-12)19(26)24-16-8-20(2,3)9-17-15(16)10-23-25(17)14-6-4-13(21)5-7-14/h4-7,10-11,16H,8-9H2,1-3H3,(H,24,26)
InChIKeyNJMDAMABFBXXQO-UHFFFAOYSA-N
XLogP3.75
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 24793919) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is NJMDAMABFBXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-18(27-11-22-12)19(26)24-16-8-20(2,3)9-17-15(16)10-23-25(17)14-6-4-13(21)5-7-14/h4-7,10-11,16H,8-9H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 24793919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).