5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide

C19H20N4O3 — CID 68683917

IUPAC5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)NCCCOc3ccccc3)o2)c1
InChIInChI=1S/C19H20N4O3/c1-14-7-5-8-15(13-14)21-19-23-22-18(26-19)17(24)20-11-6-12-25-16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyDGEWIJAXVDUFOL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.32
Rot. Bonds8

About 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide

5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68683917) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID68683917
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)NCCCOc3ccccc3)o2)c1
InChIInChI=1S/C19H20N4O3/c1-14-7-5-8-15(13-14)21-19-23-22-18(26-19)17(24)20-11-6-12-25-16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyDGEWIJAXVDUFOL-UHFFFAOYSA-N
XLogP3.32
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide (CID 68683917) is 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(Nc2nnc(C(=O)NCCCOc3ccccc3)o2)c1.
What is the InChIKey of 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DGEWIJAXVDUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-7-5-8-15(13-14)21-19-23-22-18(26-19)17(24)20-11-6-12-25-16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylanilino)-N-(3-phenoxypropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68683917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).