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

C17H16N4O4 — CID 53049121

IUPAC2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3coc(C4CC4)n3)no2)cc1
InChIInChI=1S/C17H16N4O4/c1-23-12-6-4-11(5-7-12)17-20-14(21-25-17)8-18-15(22)13-9-24-16(19-13)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,22)
InChIKeyWPVGJRZCRZMNMH-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.54
Rot. Bonds6

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

2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53049121) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID53049121
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3coc(C4CC4)n3)no2)cc1
InChIInChI=1S/C17H16N4O4/c1-23-12-6-4-11(5-7-12)17-20-14(21-25-17)8-18-15(22)13-9-24-16(19-13)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,22)
InChIKeyWPVGJRZCRZMNMH-UHFFFAOYSA-N
XLogP2.54
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide (CID 53049121) is 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2nc(CNC(=O)c3coc(C4CC4)n3)no2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WPVGJRZCRZMNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-23-12-6-4-11(5-7-12)17-20-14(21-25-17)8-18-15(22)13-9-24-16(19-13)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,22).
What are the key properties of 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53049121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).