N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine

C21H16FN5O — CID 91813239

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESFc1ccccc1-c1noc(-c2cncnc2NC2CCc3ccccc32)n1
InChIInChI=1S/C21H16FN5O/c22-17-8-4-3-7-15(17)20-26-21(28-27-20)16-11-23-12-24-19(16)25-18-10-9-13-5-1-2-6-14(13)18/h1-8,11-12,18H,9-10H2,(H,23,24,25)
InChIKeyJWVNYWAZWVTGGC-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.43
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine

N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (PubChem CID 91813239) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
PubChem CID91813239
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESFc1ccccc1-c1noc(-c2cncnc2NC2CCc3ccccc32)n1
InChIInChI=1S/C21H16FN5O/c22-17-8-4-3-7-15(17)20-26-21(28-27-20)16-11-23-12-24-19(16)25-18-10-9-13-5-1-2-6-14(13)18/h1-8,11-12,18H,9-10H2,(H,23,24,25)
InChIKeyJWVNYWAZWVTGGC-UHFFFAOYSA-N
XLogP4.43
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (CID 91813239) is N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is Fc1ccccc1-c1noc(-c2cncnc2NC2CCc3ccccc32)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The InChIKey is JWVNYWAZWVTGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-17-8-4-3-7-15(17)20-26-21(28-27-20)16-11-23-12-24-19(16)25-18-10-9-13-5-1-2-6-14(13)18/h1-8,11-12,18H,9-10H2,(H,23,24,25).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine has a molecular weight of 373.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 91813239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).