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

C15H17N3O4 — CID 53049086

IUPACN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)C3CCOC3)no2)cc1
InChIInChI=1S/C15H17N3O4/c1-20-12-4-2-10(3-5-12)15-17-13(18-22-15)8-16-14(19)11-6-7-21-9-11/h2-5,11H,6-9H2,1H3,(H,16,19)
InChIKeyHVFUKRHJDVVVDH-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.40
Rot. Bonds5

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

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide (PubChem CID 53049086) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
PubChem CID53049086
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)C3CCOC3)no2)cc1
InChIInChI=1S/C15H17N3O4/c1-20-12-4-2-10(3-5-12)15-17-13(18-22-15)8-16-14(19)11-6-7-21-9-11/h2-5,11H,6-9H2,1H3,(H,16,19)
InChIKeyHVFUKRHJDVVVDH-UHFFFAOYSA-N
XLogP1.40
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342
(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97075025
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
(3R)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
CID 95313237
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53049081
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide (CID 53049086) is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide is COc1ccc(-c2nc(CNC(=O)C3CCOC3)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide?
The InChIKey is HVFUKRHJDVVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-20-12-4-2-10(3-5-12)15-17-13(18-22-15)8-16-14(19)11-6-7-21-9-11/h2-5,11H,6-9H2,1H3,(H,16,19).
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide?
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 53049086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).