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

C22H18ClN3O2 — CID 137368081

IUPAC6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)c1c(-c2ccc(Cl)cc2)nc2occn12
InChIInChI=1S/C22H18ClN3O2/c23-18-7-5-15(6-8-18)19-20(26-9-10-28-22(26)25-19)21(27)24-13-14-11-16-3-1-2-4-17(16)12-14/h1-10,14H,11-13H2,(H,24,27)
InChIKeyBAJDJYOZRQJWEB-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.39
Rot. Bonds4

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

6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 137368081) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID137368081
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)c1c(-c2ccc(Cl)cc2)nc2occn12
InChIInChI=1S/C22H18ClN3O2/c23-18-7-5-15(6-8-18)19-20(26-9-10-28-22(26)25-19)21(27)24-13-14-11-16-3-1-2-4-17(16)12-14/h1-10,14H,11-13H2,(H,24,27)
InChIKeyBAJDJYOZRQJWEB-UHFFFAOYSA-N
XLogP4.39
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 137368081) is 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NCC1Cc2ccccc2C1)c1c(-c2ccc(Cl)cc2)nc2occn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is BAJDJYOZRQJWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-18-7-5-15(6-8-18)19-20(26-9-10-28-22(26)25-19)21(27)24-13-14-11-16-3-1-2-4-17(16)12-14/h1-10,14H,11-13H2,(H,24,27).
What are the key properties of 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-ylmethyl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 137368081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).