N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H14N4O4S — CID 51232271

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H14N4O4S/c22-14(3-4-16-20-17(21-25-16)10-5-6-26-9-10)18-11-1-2-13-12(7-11)19-15(23)8-24-13/h1-2,5-7,9H,3-4,8H2,(H,18,22)(H,19,23)
InChIKeyJPZSETMEZUKSOH-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.70
Rot. Bonds5

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 51232271) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID51232271
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H14N4O4S/c22-14(3-4-16-20-17(21-25-16)10-5-6-26-9-10)18-11-1-2-13-12(7-11)19-15(23)8-24-13/h1-2,5-7,9H,3-4,8H2,(H,18,22)(H,19,23)
InChIKeyJPZSETMEZUKSOH-UHFFFAOYSA-N
XLogP2.70
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 51232271) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JPZSETMEZUKSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c22-14(3-4-16-20-17(21-25-16)10-5-6-26-9-10)18-11-1-2-13-12(7-11)19-15(23)8-24-13/h1-2,5-7,9H,3-4,8H2,(H,18,22)(H,19,23).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 370.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 51232271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).