4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

C13H15N3O3 — CID 30591348

IUPAC4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESCC(C)c1noc(COc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H15N3O3/c1-8(2)13-15-11(19-16-13)7-18-10-5-3-9(4-6-10)12(14)17/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChIKeyWEQOZMHKAWSSSK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.87
Rot. Bonds5

About 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (PubChem CID 30591348) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
PubChem CID30591348
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESCC(C)c1noc(COc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H15N3O3/c1-8(2)13-15-11(19-16-13)7-18-10-5-3-9(4-6-10)12(14)17/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChIKeyWEQOZMHKAWSSSK-UHFFFAOYSA-N
XLogP1.87
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 30029227
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
5-[(4-pentylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112811277
1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 47019668
5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790240
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-hydroxybenzoate
CID 55539427
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 30591403

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The IUPAC name of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (CID 30591348) is 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.
What is the SMILES notation for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The canonical SMILES for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is CC(C)c1noc(COc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The InChIKey is WEQOZMHKAWSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)13-15-11(19-16-13)7-18-10-5-3-9(4-6-10)12(14)17/h3-6,8H,7H2,1-2H3,(H2,14,17).
What are the key properties of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 30591348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).