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

C18H19N3O2S — CID 56782424

IUPACN-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NC2(C#N)CCSC2)oc1-c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13-17(14-5-3-2-4-6-14)23-16(20-13)8-7-15(22)21-18(11-19)9-10-24-12-18/h2-6H,7-10,12H2,1H3,(H,21,22)
InChIKeyWISGHMGIRCVDSI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.10
Rot. Bonds5

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

N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 56782424) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID56782424
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NC2(C#N)CCSC2)oc1-c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13-17(14-5-3-2-4-6-14)23-16(20-13)8-7-15(22)21-18(11-19)9-10-24-12-18/h2-6H,7-10,12H2,1H3,(H,21,22)
InChIKeyWISGHMGIRCVDSI-UHFFFAOYSA-N
XLogP3.10
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-3-cyanothiolan-3-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 95614706
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CID 71984945
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230028
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 119451162
N-(3-cyanothiolan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60512430
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
N-[(3R)-3-cyanothiolan-3-yl]-3-(2,5-difluorophenyl)propanamide
CID 94817918
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide (CID 56782424) is N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1nc(CCC(=O)NC2(C#N)CCSC2)oc1-c1ccccc1.
What is the InChIKey of N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is WISGHMGIRCVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-17(14-5-3-2-4-6-14)23-16(20-13)8-7-15(22)21-18(11-19)9-10-24-12-18/h2-6H,7-10,12H2,1H3,(H,21,22).
What are the key properties of N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 56782424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).