3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C19H19N3O2S — CID 110310622

IUPAC3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESO=C(CC(c1ccccc1)C1CC1)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H19N3O2S/c23-17(11-15(14-8-9-14)13-5-2-1-3-6-13)20-12-18-21-19(22-24-18)16-7-4-10-25-16/h1-7,10,14-15H,8-9,11-12H2,(H,20,23)
InChIKeyKQIFDSXYHVMJKJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.00
Rot. Bonds7

About 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 110310622) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID110310622
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESO=C(CC(c1ccccc1)C1CC1)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H19N3O2S/c23-17(11-15(14-8-9-14)13-5-2-1-3-6-13)20-12-18-21-19(22-24-18)16-7-4-10-25-16/h1-7,10,14-15H,8-9,11-12H2,(H,20,23)
InChIKeyKQIFDSXYHVMJKJ-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-2-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 110632070
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CID 110354844
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
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3-(benzenesulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310602
2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
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2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
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(2R,3R)-2-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
4-(1,3-dioxoisoindol-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 110310622) is 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is O=C(CC(c1ccccc1)C1CC1)NCc1nc(-c2cccs2)no1.
What is the InChIKey of 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is KQIFDSXYHVMJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(11-15(14-8-9-14)13-5-2-1-3-6-13)20-12-18-21-19(22-24-18)16-7-4-10-25-16/h1-7,10,14-15H,8-9,11-12H2,(H,20,23).
What are the key properties of 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 353.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110310622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).