ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate

C14H14N2O3 — CID 53429627

IUPACethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)11-7-3-9(4-8-11)12-15-13(19-16-12)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyYUKRBJVOIXTABL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.79
Rot. Bonds4

About ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate

ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate (PubChem CID 53429627) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
PubChem CID53429627
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)11-7-3-9(4-8-11)12-15-13(19-16-12)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyYUKRBJVOIXTABL-UHFFFAOYSA-N
XLogP2.79
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 46292695
ethyl 4-[[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 144960958
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 126808417
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate?
The IUPAC name of ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate (CID 53429627) is ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate?
The canonical SMILES for ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate is CCOC(=O)c1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate?
The InChIKey is YUKRBJVOIXTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-18-14(17)11-7-3-9(4-8-11)12-15-13(19-16-12)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate?
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate has a molecular weight of 258.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate is sourced from PubChem (CID 53429627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).