4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide

C20H23N5O2 — CID 77085080

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)n1cc(CN(C)C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cn1
InChIInChI=1S/C20H23N5O2/c1-13(2)25-12-14(10-21-25)11-24(3)20(26)17-8-4-15(5-9-17)18-22-19(27-23-18)16-6-7-16/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3
InChIKeyGJGNPXHBEFFJNW-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.66
Rot. Bonds6

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide (PubChem CID 77085080) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide
PubChem CID77085080
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)n1cc(CN(C)C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cn1
InChIInChI=1S/C20H23N5O2/c1-13(2)25-12-14(10-21-25)11-24(3)20(26)17-8-4-15(5-9-17)18-22-19(27-23-18)16-6-7-16/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3
InChIKeyGJGNPXHBEFFJNW-UHFFFAOYSA-N
XLogP3.66
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide (CID 77085080) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide is CC(C)n1cc(CN(C)C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cn1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide?
The InChIKey is GJGNPXHBEFFJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(2)25-12-14(10-21-25)11-24(3)20(26)17-8-4-15(5-9-17)18-22-19(27-23-18)16-6-7-16/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide has a molecular weight of 365.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 77085080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).