(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C18H23N3O3 — CID 97344999

IUPAC(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nc([C@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)no1
InChIInChI=1S/C18H23N3O3/c1-12-19-16(20-24-12)15-11-21(9-10-23-15)17(22)13-5-7-14(8-6-13)18(2,3)4/h5-8,15H,9-11H2,1-4H3/t15-/m1/s1
InChIKeyUPOSZYQUQVZGRB-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.89
Rot. Bonds2

About (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 97344999) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID97344999
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nc([C@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)no1
InChIInChI=1S/C18H23N3O3/c1-12-19-16(20-24-12)15-11-21(9-10-23-15)17(22)13-5-7-14(8-6-13)18(2,3)4/h5-8,15H,9-11H2,1-4H3/t15-/m1/s1
InChIKeyUPOSZYQUQVZGRB-OAHLLOKOSA-N
XLogP2.89
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474800
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 97344994
3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97344976
(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474850
[2-(furan-2-yl)quinolin-4-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474799
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127781327
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
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
(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
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 97344999) is (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1nc([C@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)no1.
What is the InChIKey of (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is UPOSZYQUQVZGRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-19-16(20-24-12)15-11-21(9-10-23-15)17(22)13-5-7-14(8-6-13)18(2,3)4/h5-8,15H,9-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97344999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).