1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one

C15H15N3O3 — CID 166409198

IUPAC1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H15N3O3/c1-2-13(19)18-8-9-20-12(10-18)14-16-15(21-17-14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyIBRCZCZWBCXCGP-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one

1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 166409198) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
PubChem CID166409198
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H15N3O3/c1-2-13(19)18-8-9-20-12(10-18)14-16-15(21-17-14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyIBRCZCZWBCXCGP-UHFFFAOYSA-N
XLogP1.82
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 75474712
(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 97344792
[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
CID 75474719
1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843
1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 97344246
4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
CID 97344593
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
CID 75474012
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one (CID 166409198) is 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is IBRCZCZWBCXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-13(19)18-8-9-20-12(10-18)14-16-15(21-17-14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2.
What are the key properties of 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 285.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 166409198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).