[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C19H25N3O4 — CID 75474800

IUPAC[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nc(C2CN(C(=O)c3ccc(OCCC(C)C)cc3)CCO2)no1
InChIInChI=1S/C19H25N3O4/c1-13(2)8-10-24-16-6-4-15(5-7-16)19(23)22-9-11-25-17(12-22)18-20-14(3)26-21-18/h4-7,13,17H,8-12H2,1-3H3
InChIKeyKBIICJIVMYOCIW-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.02
Rot. Bonds6

About [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75474800) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75474800
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nc(C2CN(C(=O)c3ccc(OCCC(C)C)cc3)CCO2)no1
InChIInChI=1S/C19H25N3O4/c1-13(2)8-10-24-16-6-4-15(5-7-16)19(23)22-9-11-25-17(12-22)18-20-14(3)26-21-18/h4-7,13,17H,8-12H2,1-3H3
InChIKeyKBIICJIVMYOCIW-UHFFFAOYSA-N
XLogP3.02
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474850
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474844
3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97344976
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 92611268
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 132779340
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124890686
[3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(3-methylbutoxy)phenyl]methanone
CID 119540673
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75474800) is [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1nc(C2CN(C(=O)c3ccc(OCCC(C)C)cc3)CCO2)no1.
What is the InChIKey of [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is KBIICJIVMYOCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)8-10-24-16-6-4-15(5-7-16)19(23)22-9-11-25-17(12-22)18-20-14(3)26-21-18/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75474800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).