2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide

C19H20ClN3O2S — CID 71886139

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide
SMILESCC(SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C19H20ClN3O2S/c1-13(18(24)23-19(12-21)8-2-3-9-19)26-11-17-22-10-16(25-17)14-4-6-15(20)7-5-14/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,23,24)
InChIKeyDQSSSCIEZXCEQF-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.57
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide (PubChem CID 71886139) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide
PubChem CID71886139
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide
SMILESCC(SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C19H20ClN3O2S/c1-13(18(24)23-19(12-21)8-2-3-9-19)26-11-17-22-10-16(25-17)14-4-6-15(20)7-5-14/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,23,24)
InChIKeyDQSSSCIEZXCEQF-UHFFFAOYSA-N
XLogP4.57
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide (CID 71886139) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide is CC(SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCC1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide?
The InChIKey is DQSSSCIEZXCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-13(18(24)23-19(12-21)8-2-3-9-19)26-11-17-22-10-16(25-17)14-4-6-15(20)7-5-14/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,23,24).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide has a molecular weight of 389.91 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(1-cyanocyclopentyl)propanamide is sourced from PubChem (CID 71886139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).