N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide

C21H16FN3O2 — CID 137368304

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1c(-c2ccc(F)cc2)nc2occn12
InChIInChI=1S/C21H16FN3O2/c22-16-7-5-13(6-8-16)18-19(25-9-10-27-21(25)24-18)20(26)23-17-11-14-3-1-2-4-15(14)12-17/h1-10,17H,11-12H2,(H,23,26)
InChIKeyLIMQPTKJNXONNM-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.63
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 137368304) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID137368304
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1c(-c2ccc(F)cc2)nc2occn12
InChIInChI=1S/C21H16FN3O2/c22-16-7-5-13(6-8-16)18-19(25-9-10-27-21(25)24-18)20(26)23-17-11-14-3-1-2-4-15(14)12-17/h1-10,17H,11-12H2,(H,23,26)
InChIKeyLIMQPTKJNXONNM-UHFFFAOYSA-N
XLogP3.63
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 137368304) is N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NC1Cc2ccccc2C1)c1c(-c2ccc(F)cc2)nc2occn12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is LIMQPTKJNXONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-16-7-5-13(6-8-16)18-19(25-9-10-27-21(25)24-18)20(26)23-17-11-14-3-1-2-4-15(14)12-17/h1-10,17H,11-12H2,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 137368304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).