(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide

C17H19N3O5 — CID 97314801

IUPAC(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1COCCO1
InChIInChI=1S/C17H19N3O5/c21-16(14-9-22-7-8-23-14)18-12-3-5-13(6-4-12)24-10-15-19-17(25-20-15)11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H,18,21)/t14-/m1/s1
InChIKeyYJSLWQNEIBDICD-CQSZACIVSA-N
MW345.36 g/mol
LogP1.88
Rot. Bonds6

About (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide

(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide (PubChem CID 97314801) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide
PubChem CID97314801
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1COCCO1
InChIInChI=1S/C17H19N3O5/c21-16(14-9-22-7-8-23-14)18-12-3-5-13(6-4-12)24-10-15-19-17(25-20-15)11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H,18,21)/t14-/m1/s1
InChIKeyYJSLWQNEIBDICD-CQSZACIVSA-N
XLogP1.88
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide with MolForge

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Related Compounds

N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119783651
2-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetamide
CID 119323625
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120932450
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119323633
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119783693
3-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119783657
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323619
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
CID 119323634
1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084935
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119783690
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783689
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide (CID 97314801) is (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide is O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1COCCO1.
What is the InChIKey of (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is YJSLWQNEIBDICD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-16(14-9-22-7-8-23-14)18-12-3-5-13(6-4-12)24-10-15-19-17(25-20-15)11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide?
(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 97314801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).