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

C22H17F2N3O2 — CID 142505372

IUPAC6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)c1c(-c2ccc(F)cc2F)nc2occn12
InChIInChI=1S/C22H17F2N3O2/c23-16-5-6-17(18(24)11-16)19-20(27-7-8-29-22(27)26-19)21(28)25-12-13-9-14-3-1-2-4-15(14)10-13/h1-8,11,13H,9-10,12H2,(H,25,28)
InChIKeyOOUFWMMQERBMSA-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.02
Rot. Bonds4

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

6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 142505372) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID142505372
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)c1c(-c2ccc(F)cc2F)nc2occn12
InChIInChI=1S/C22H17F2N3O2/c23-16-5-6-17(18(24)11-16)19-20(27-7-8-29-22(27)26-19)21(28)25-12-13-9-14-3-1-2-4-15(14)10-13/h1-8,11,13H,9-10,12H2,(H,25,28)
InChIKeyOOUFWMMQERBMSA-UHFFFAOYSA-N
XLogP4.02
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 142505372) is 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NCC1Cc2ccccc2C1)c1c(-c2ccc(F)cc2F)nc2occn12.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is OOUFWMMQERBMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-16-5-6-17(18(24)11-16)19-20(27-7-8-29-22(27)26-19)21(28)25-12-13-9-14-3-1-2-4-15(14)10-13/h1-8,11,13H,9-10,12H2,(H,25,28).
What are the key properties of 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 142505372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).