5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine

C20H16FN5O2 — CID 118258541

IUPAC5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(Cc2nnc(NC3=CC=C4NN=C(c5ccco5)C4C3)o2)c1
InChIInChI=1S/C20H16FN5O2/c21-13-4-1-3-12(9-13)10-18-24-26-20(28-18)22-14-6-7-16-15(11-14)19(25-23-16)17-5-2-8-27-17/h1-9,15,23H,10-11H2,(H,22,26)
InChIKeyUQUKTWWCTGHYTL-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.60
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine

5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 118258541) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID118258541
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(Cc2nnc(NC3=CC=C4NN=C(c5ccco5)C4C3)o2)c1
InChIInChI=1S/C20H16FN5O2/c21-13-4-1-3-12(9-13)10-18-24-26-20(28-18)22-14-6-7-16-15(11-14)19(25-23-16)17-5-2-8-27-17/h1-9,15,23H,10-11H2,(H,22,26)
InChIKeyUQUKTWWCTGHYTL-UHFFFAOYSA-N
XLogP3.60
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine (CID 118258541) is 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine is Fc1cccc(Cc2nnc(NC3=CC=C4NN=C(c5ccco5)C4C3)o2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UQUKTWWCTGHYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-13-4-1-3-12(9-13)10-18-24-26-20(28-18)22-14-6-7-16-15(11-14)19(25-23-16)17-5-2-8-27-17/h1-9,15,23H,10-11H2,(H,22,26).
What are the key properties of 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 377.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3a,4-dihydro-1H-indazol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118258541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).