N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

C20H17FN4O2 — CID 126603602

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12
InChIInChI=1S/C20H17FN4O2/c1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15/h2-9,12H,10-11H2,1H3,(H,22,23,26)
InChIKeySPCIQRKNKGTZKG-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.10
Rot. Bonds5

About N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 126603602) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID126603602
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12
InChIInChI=1S/C20H17FN4O2/c1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15/h2-9,12H,10-11H2,1H3,(H,22,23,26)
InChIKeySPCIQRKNKGTZKG-UHFFFAOYSA-N
XLogP4.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 126603602) is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SPCIQRKNKGTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15/h2-9,12H,10-11H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126603602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).