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

C18H20N4O3 — CID 46994969

IUPACN-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2cc(-c3ccccc3)on2)no1
InChIInChI=1S/C18H20N4O3/c1-3-8-17-19-16(21-25-17)12-22(4-2)18(23)14-11-15(24-20-14)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3
InChIKeyOLZAPKABXUGVMT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.34
Rot. Bonds7

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

N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46994969) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46994969
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2cc(-c3ccccc3)on2)no1
InChIInChI=1S/C18H20N4O3/c1-3-8-17-19-16(21-25-17)12-22(4-2)18(23)14-11-15(24-20-14)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3
InChIKeyOLZAPKABXUGVMT-UHFFFAOYSA-N
XLogP3.34
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 46994969) is N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is CCCc1nc(CN(CC)C(=O)c2cc(-c3ccccc3)on2)no1.
What is the InChIKey of N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OLZAPKABXUGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-8-17-19-16(21-25-17)12-22(4-2)18(23)14-11-15(24-20-14)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3.
What are the key properties of N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-phenyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46994969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).