5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide

C16H21N3O2 — CID 110391117

IUPAC5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-4-10-19(11-5-2)16(20)15-18-17-14(21-15)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyDBMXLNYKHADPBO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.31
Rot. Bonds6

About 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide

5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391117) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391117
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-4-10-19(11-5-2)16(20)15-18-17-14(21-15)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyDBMXLNYKHADPBO-UHFFFAOYSA-N
XLogP3.31
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide (CID 110391117) is 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide is CCCN(CCC)C(=O)c1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DBMXLNYKHADPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-10-19(11-5-2)16(20)15-18-17-14(21-15)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide?
5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).