(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C17H21N3O4 — CID 75474844

IUPAC(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCOC(c3noc(C(C)C)n3)C2)c1
InChIInChI=1S/C17H21N3O4/c1-11(2)16-18-15(19-24-16)14-10-20(7-8-23-14)17(21)12-5-4-6-13(9-12)22-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyPOECRDRBWPSEOA-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.42
Rot. Bonds4

About (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75474844) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75474844
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCOC(c3noc(C(C)C)n3)C2)c1
InChIInChI=1S/C17H21N3O4/c1-11(2)16-18-15(19-24-16)14-10-20(7-8-23-14)17(21)12-5-4-6-13(9-12)22-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyPOECRDRBWPSEOA-UHFFFAOYSA-N
XLogP2.42
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474850
2-(4-methoxyphenyl)-2-methyl-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345083
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56875502
3-(4-methylphenyl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345089
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136517505
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75474844) is (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is COc1cccc(C(=O)N2CCOC(c3noc(C(C)C)n3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is POECRDRBWPSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(2)16-18-15(19-24-16)14-10-20(7-8-23-14)17(21)12-5-4-6-13(9-12)22-3/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 331.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75474844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).