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

C14H13ClFN3O3 — CID 75507636

IUPAC4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFN3O3/c15-10-2-1-9(7-11(10)16)12(20)18-14(3-5-21-6-4-14)13-17-8-22-19-13/h1-2,7-8H,3-6H2,(H,18,20)
InChIKeyRLJJSONPFSMTGU-UHFFFAOYSA-N
MW325.73 g/mol
LogP2.30
Rot. Bonds3

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

4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (PubChem CID 75507636) has the molecular formula C14H13ClFN3O3 and a molecular weight of 325.73 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
PubChem CID75507636
Molecular FormulaC14H13ClFN3O3
Molecular Weight325.73 g/mol
Exact Mass325.06
IUPAC Name4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFN3O3/c15-10-2-1-9(7-11(10)16)12(20)18-14(3-5-21-6-4-14)13-17-8-22-19-13/h1-2,7-8H,3-6H2,(H,18,20)
InChIKeyRLJJSONPFSMTGU-UHFFFAOYSA-N
XLogP2.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 86789098
4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 86788801
2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 75504262
3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide
CID 127877610
4-[[(4-chloro-3-fluorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 106703986
5-(2-methylpropyl)-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
CID 86789105
N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 138024810
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
4-[(4-chloro-3-fluorobenzoyl)amino]thiane-4-carboxylic acid
CID 120531229
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
1-[[(4-chloro-3-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107998056
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (CID 75507636) is 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is O=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The InChIKey is RLJJSONPFSMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3/c15-10-2-1-9(7-11(10)16)12(20)18-14(3-5-21-6-4-14)13-17-8-22-19-13/h1-2,7-8H,3-6H2,(H,18,20).
What are the key properties of 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide has a molecular weight of 325.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 75507636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).