2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone

C14H13ClN2O2 — CID 55203154

IUPAC2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc(Cc2ccc(Cl)cc2)no1)C1CC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-1-9(2-6-11)7-13-16-14(19-17-13)8-12(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKeyUKKNXWQUIKQXFB-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.84
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone

2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone (PubChem CID 55203154) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
PubChem CID55203154
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc(Cc2ccc(Cl)cc2)no1)C1CC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-1-9(2-6-11)7-13-16-14(19-17-13)8-12(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKeyUKKNXWQUIKQXFB-UHFFFAOYSA-N
XLogP2.84
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525
methyl 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474499
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 18523550
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 55200861
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63639137
3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119948432
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
2-amino-N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841335
1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 66084832
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346783

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone (CID 55203154) is 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone is O=C(Cc1nc(Cc2ccc(Cl)cc2)no1)C1CC1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
The InChIKey is UKKNXWQUIKQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-5-1-9(2-6-11)7-13-16-14(19-17-13)8-12(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2.
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone has a molecular weight of 276.72 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone is sourced from PubChem (CID 55203154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).