3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide

C20H22N4O3 — CID 126778314

IUPAC3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)CCc1nnc(C2CCCC2)o1
InChIInChI=1S/C20H22N4O3/c1-13-18(19(27-24-13)14-7-3-2-4-8-14)21-16(25)11-12-17-22-23-20(26-17)15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,25)
InChIKeyFFCLZFFKLLNXHI-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.26
Rot. Bonds6

About 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide

3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide (PubChem CID 126778314) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
PubChem CID126778314
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)CCc1nnc(C2CCCC2)o1
InChIInChI=1S/C20H22N4O3/c1-13-18(19(27-24-13)14-7-3-2-4-8-14)21-16(25)11-12-17-22-23-20(26-17)15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,25)
InChIKeyFFCLZFFKLLNXHI-UHFFFAOYSA-N
XLogP4.26
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide (CID 126778314) is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide is Cc1noc(-c2ccccc2)c1NC(=O)CCc1nnc(C2CCCC2)o1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is FFCLZFFKLLNXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-18(19(27-24-13)14-7-3-2-4-8-14)21-16(25)11-12-17-22-23-20(26-17)15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,25).
What are the key properties of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 126778314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).