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

C19H15FN4O2 — CID 118335369

IUPACN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H15FN4O2/c1-12-16(11-26-23-12)19(25)21-18-15-4-2-3-5-17(15)24(22-18)10-13-6-8-14(20)9-7-13/h2-9,11H,10H2,1H3,(H,21,22,25)
InChIKeyLYFXPHQNXHMTFY-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.77
Rot. Bonds4

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

N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118335369) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118335369
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H15FN4O2/c1-12-16(11-26-23-12)19(25)21-18-15-4-2-3-5-17(15)24(22-18)10-13-6-8-14(20)9-7-13/h2-9,11H,10H2,1H3,(H,21,22,25)
InChIKeyLYFXPHQNXHMTFY-UHFFFAOYSA-N
XLogP3.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.77
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)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118335369) is N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LYFXPHQNXHMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-12-16(11-26-23-12)19(25)21-18-15-4-2-3-5-17(15)24(22-18)10-13-6-8-14(20)9-7-13/h2-9,11H,10H2,1H3,(H,21,22,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).