3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide

C16H13ClN4O3S — CID 9086680

IUPAC3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O3S/c17-11-4-1-3-10(9-11)16(23)20-19-13(22)6-7-14-18-15(21-24-14)12-5-2-8-25-12/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23)
InChIKeyCXUWOBRLDYEHJU-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.85
Rot. Bonds5

About 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide

3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide (PubChem CID 9086680) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
PubChem CID9086680
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O3S/c17-11-4-1-3-10(9-11)16(23)20-19-13(22)6-7-14-18-15(21-24-14)12-5-2-8-25-12/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23)
InChIKeyCXUWOBRLDYEHJU-UHFFFAOYSA-N
XLogP2.85
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229501
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 31724259
N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 30147385
N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55415410
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
4-oxo-3-propan-2-yl-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 35767753
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide (CID 9086680) is 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide is O=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The InChIKey is CXUWOBRLDYEHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c17-11-4-1-3-10(9-11)16(23)20-19-13(22)6-7-14-18-15(21-24-14)12-5-2-8-25-12/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23).
What are the key properties of 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide has a molecular weight of 376.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 9086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).