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

C20H16N4O3S — CID 71800646

IUPAC5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(C2CC2)on1
InChIInChI=1S/C20H16N4O3S/c25-20(15-11-16(26-23-15)12-7-8-12)21-14-5-2-1-4-13(14)10-18-22-19(24-27-18)17-6-3-9-28-17/h1-6,9,11-12H,7-8,10H2,(H,21,25)
InChIKeyXAGSARJMCHRUGP-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.51
Rot. Bonds6

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

5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 71800646) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID71800646
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(C2CC2)on1
InChIInChI=1S/C20H16N4O3S/c25-20(15-11-16(26-23-15)12-7-8-12)21-14-5-2-1-4-13(14)10-18-22-19(24-27-18)17-6-3-9-28-17/h1-6,9,11-12H,7-8,10H2,(H,21,25)
InChIKeyXAGSARJMCHRUGP-UHFFFAOYSA-N
XLogP4.51
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (CID 71800646) is 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XAGSARJMCHRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20(15-11-16(26-23-15)12-7-8-12)21-14-5-2-1-4-13(14)10-18-22-19(24-27-18)17-6-3-9-28-17/h1-6,9,11-12H,7-8,10H2,(H,21,25).
What are the key properties of 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71800646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).