N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide

C14H15N5O4S — CID 8532463

IUPACN-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C14H15N5O4S/c20-10(17-18-14(22)13(21)15-9-1-2-9)3-4-11-16-12(19-23-11)8-5-6-24-7-8/h5-7,9H,1-4H2,(H,15,21)(H,17,20)(H,18,22)
InChIKeyNBBTTZTYALQGRL-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.16
Rot. Bonds5

About N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide

N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide (PubChem CID 8532463) has the molecular formula C14H15N5O4S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide
PubChem CID8532463
Molecular FormulaC14H15N5O4S
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC NameN-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C14H15N5O4S/c20-10(17-18-14(22)13(21)15-9-1-2-9)3-4-11-16-12(19-23-11)8-5-6-24-7-8/h5-7,9H,1-4H2,(H,15,21)(H,17,20)(H,18,22)
InChIKeyNBBTTZTYALQGRL-UHFFFAOYSA-N
XLogP0.16
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18106193
N-cyclohexyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089346
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55690877
N-piperidin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119425726
N-[(4-cyclopropylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119048312
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 47011704
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 51614529
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24582544
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119622767
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94024348

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide (CID 8532463) is N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide is O=C(CCc1nc(-c2ccsc2)no1)NNC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide?
The InChIKey is NBBTTZTYALQGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4S/c20-10(17-18-14(22)13(21)15-9-1-2-9)3-4-11-16-12(19-23-11)8-5-6-24-7-8/h5-7,9H,1-4H2,(H,15,21)(H,17,20)(H,18,22).
What are the key properties of N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide?
N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide has a molecular weight of 349.37 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide is sourced from PubChem (CID 8532463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).