N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide

C16H15N3O2S — CID 141005851

IUPACN'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(OCCc2ccno2)cc1)c1cccs1
InChIInChI=1S/C16H15N3O2S/c17-16(15-2-1-11-22-15)19-12-3-5-13(6-4-12)20-10-8-14-7-9-18-21-14/h1-7,9,11H,8,10H2,(H2,17,19)
InChIKeyYQSSRXICEAXOJY-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.39
Rot. Bonds6

About N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide

N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide (PubChem CID 141005851) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide
PubChem CID141005851
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(OCCc2ccno2)cc1)c1cccs1
InChIInChI=1S/C16H15N3O2S/c17-16(15-2-1-11-22-15)19-12-3-5-13(6-4-12)20-10-8-14-7-9-18-21-14/h1-7,9,11H,8,10H2,(H2,17,19)
InChIKeyYQSSRXICEAXOJY-UHFFFAOYSA-N
XLogP3.39
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide (CID 141005851) is N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(OCCc2ccno2)cc1)c1cccs1.
What is the InChIKey of N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide?
The InChIKey is YQSSRXICEAXOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-16(15-2-1-11-22-15)19-12-3-5-13(6-4-12)20-10-8-14-7-9-18-21-14/h1-7,9,11H,8,10H2,(H2,17,19).
What are the key properties of N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide?
N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide has a molecular weight of 313.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 141005851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).