4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C21H24N4O2 — CID 86886639

IUPAC4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCCN(C)c1ccc(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-5-25(4)18-12-8-15(9-13-18)20(26)22-17-10-6-16(7-11-17)21-23-19(14(2)3)24-27-21/h6-14H,5H2,1-4H3,(H,22,26)
InChIKeySUDLOUYMQHQLIZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.57
Rot. Bonds6

About 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 86886639) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID86886639
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCCN(C)c1ccc(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-5-25(4)18-12-8-15(9-13-18)20(26)22-17-10-6-16(7-11-17)21-23-19(14(2)3)24-27-21/h6-14H,5H2,1-4H3,(H,22,26)
InChIKeySUDLOUYMQHQLIZ-UHFFFAOYSA-N
XLogP4.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 86886639) is 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is CCN(C)c1ccc(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is SUDLOUYMQHQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-25(4)18-12-8-15(9-13-18)20(26)22-17-10-6-16(7-11-17)21-23-19(14(2)3)24-27-21/h6-14H,5H2,1-4H3,(H,22,26).
What are the key properties of 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 86886639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).