N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide

C16H15N3O4S — CID 4789093

IUPACN'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cccs1
InChIInChI=1S/C16H15N3O4S/c20-14(17-18-15(21)13-7-4-10-24-13)8-3-9-19-11-5-1-2-6-12(11)23-16(19)22/h1-2,4-7,10H,3,8-9H2,(H,17,20)(H,18,21)
InChIKeySRCYUZAQYKGQOT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.90
Rot. Bonds5

About N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide

N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide (PubChem CID 4789093) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide
PubChem CID4789093
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cccs1
InChIInChI=1S/C16H15N3O4S/c20-14(17-18-15(21)13-7-4-10-24-13)8-3-9-19-11-5-1-2-6-12(11)23-16(19)22/h1-2,4-7,10H,3,8-9H2,(H,17,20)(H,18,21)
InChIKeySRCYUZAQYKGQOT-UHFFFAOYSA-N
XLogP1.90
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.90
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

3-[4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 9022789
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657656
1-(2-fluorophenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea
CID 9468603
N,N-dimethyl-3-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 26850250
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
CID 134049177
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 9293605
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide (CID 4789093) is N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide is O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cccs1.
What is the InChIKey of N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide?
The InChIKey is SRCYUZAQYKGQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-14(17-18-15(21)13-7-4-10-24-13)8-3-9-19-11-5-1-2-6-12(11)23-16(19)22/h1-2,4-7,10H,3,8-9H2,(H,17,20)(H,18,21).
What are the key properties of N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide?
N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide has a molecular weight of 345.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4789093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).