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

C22H23N3O3 — CID 121498861

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
SMILESCCC(O)c1ccc(-c2ccc(C(=O)NCc3noc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-19(26)16-7-3-14(4-8-16)15-5-9-17(10-6-15)21(27)23-13-20-24-22(28-25-20)18-11-12-18/h3-10,18-19,26H,2,11-13H2,1H3,(H,23,27)
InChIKeyTYZAIJAFBKVOAA-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.99
Rot. Bonds7

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide (PubChem CID 121498861) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
PubChem CID121498861
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
SMILESCCC(O)c1ccc(-c2ccc(C(=O)NCc3noc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-19(26)16-7-3-14(4-8-16)15-5-9-17(10-6-15)21(27)23-13-20-24-22(28-25-20)18-11-12-18/h3-10,18-19,26H,2,11-13H2,1H3,(H,23,27)
InChIKeyTYZAIJAFBKVOAA-UHFFFAOYSA-N
XLogP3.99
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide (CID 121498861) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide is CCC(O)c1ccc(-c2ccc(C(=O)NCc3noc(C4CC4)n3)cc2)cc1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide?
The InChIKey is TYZAIJAFBKVOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-19(26)16-7-3-14(4-8-16)15-5-9-17(10-6-15)21(27)23-13-20-24-22(28-25-20)18-11-12-18/h3-10,18-19,26H,2,11-13H2,1H3,(H,23,27).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide is sourced from PubChem (CID 121498861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).