4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide

C14H14ClN3O3 — CID 86789098

IUPAC4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3/c15-11-3-1-10(2-4-11)12(19)17-14(5-7-20-8-6-14)13-16-9-21-18-13/h1-4,9H,5-8H2,(H,17,19)
InChIKeyCCLHOBWDXHGUKU-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.16
Rot. Bonds3

About 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide

4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (PubChem CID 86789098) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
PubChem CID86789098
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3/c15-11-3-1-10(2-4-11)12(19)17-14(5-7-20-8-6-14)13-16-9-21-18-13/h1-4,9H,5-8H2,(H,17,19)
InChIKeyCCLHOBWDXHGUKU-UHFFFAOYSA-N
XLogP2.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (CID 86789098) is 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is O=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The InChIKey is CCLHOBWDXHGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-11-3-1-10(2-4-11)12(19)17-14(5-7-20-8-6-14)13-16-9-21-18-13/h1-4,9H,5-8H2,(H,17,19).
What are the key properties of 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide has a molecular weight of 307.74 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 86789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).