N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide

C19H13N3O4S — CID 90607981

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H13N3O4S/c23-13-9-15(25-14-4-2-1-3-11(13)14)18(24)20-12-7-8-27-16(12)19-21-17(22-26-19)10-5-6-10/h1-4,7-10H,5-6H2,(H,20,24)
InChIKeyWRBAKFSEIXBTCX-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.03
Rot. Bonds4

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 90607981) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide
PubChem CID90607981
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H13N3O4S/c23-13-9-15(25-14-4-2-1-3-11(13)14)18(24)20-12-7-8-27-16(12)19-21-17(22-26-19)10-5-6-10/h1-4,7-10H,5-6H2,(H,20,24)
InChIKeyWRBAKFSEIXBTCX-UHFFFAOYSA-N
XLogP4.03
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide (CID 90607981) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide is O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide?
The InChIKey is WRBAKFSEIXBTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c23-13-9-15(25-14-4-2-1-3-11(13)14)18(24)20-12-7-8-27-16(12)19-21-17(22-26-19)10-5-6-10/h1-4,7-10H,5-6H2,(H,20,24).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90607981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).