(2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C20H23N5O3 — CID 91911403

IUPAC(2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CC(c2nc(CCOCc3ccccc3)no2)C1
InChIInChI=1S/C20H23N5O3/c1-2-25-17(8-10-21-25)20(26)24-12-16(13-24)19-22-18(23-28-19)9-11-27-14-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3
InChIKeyLYMVJQOLHFEUTA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.28
Rot. Bonds8

About (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 91911403) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID91911403
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CC(c2nc(CCOCc3ccccc3)no2)C1
InChIInChI=1S/C20H23N5O3/c1-2-25-17(8-10-21-25)20(26)24-12-16(13-24)19-22-18(23-28-19)9-11-27-14-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3
InChIKeyLYMVJQOLHFEUTA-UHFFFAOYSA-N
XLogP2.28
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 91911403) is (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is CCn1nccc1C(=O)N1CC(c2nc(CCOCc3ccccc3)no2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is LYMVJQOLHFEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-25-17(8-10-21-25)20(26)24-12-16(13-24)19-22-18(23-28-19)9-11-27-14-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 91911403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).