(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C18H19N3O4 — CID 129327895

IUPAC(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc([C@@H]2CN(C(=O)c3oc4c(C)cccc4c3C)CCO2)o1
InChIInChI=1S/C18H19N3O4/c1-10-5-4-6-13-11(2)16(25-15(10)13)18(22)21-7-8-23-14(9-21)17-20-19-12(3)24-17/h4-6,14H,7-9H2,1-3H3/t14-/m0/s1
InChIKeyXEFIFQFWSFFOBV-AWEZNQCLSA-N
MW341.37 g/mol
LogP2.95
Rot. Bonds2

About (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129327895) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129327895
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc([C@@H]2CN(C(=O)c3oc4c(C)cccc4c3C)CCO2)o1
InChIInChI=1S/C18H19N3O4/c1-10-5-4-6-13-11(2)16(25-15(10)13)18(22)21-7-8-23-14(9-21)17-20-19-12(3)24-17/h4-6,14H,7-9H2,1-3H3/t14-/m0/s1
InChIKeyXEFIFQFWSFFOBV-AWEZNQCLSA-N
XLogP2.95
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
2-(7-methyl-1H-indol-3-yl)-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327716
[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 129326893
4-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129326425
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129001862
(4,5-dimethylthiophen-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326186
(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 124886393
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 129327530
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734280

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129327895) is (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is Cc1nnc([C@@H]2CN(C(=O)c3oc4c(C)cccc4c3C)CCO2)o1.
What is the InChIKey of (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is XEFIFQFWSFFOBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-10-5-4-6-13-11(2)16(25-15(10)13)18(22)21-7-8-23-14(9-21)17-20-19-12(3)24-17/h4-6,14H,7-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 341.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129327895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).