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

C20H19N3O5 — CID 75474993

IUPAC(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(O)c(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H19N3O5/c1-26-14-7-8-17(24)15(11-14)20(25)23-9-10-27-12-16(23)18-21-19(28-22-18)13-5-3-2-4-6-13/h2-8,11,16,24H,9-10,12H2,1H3
InChIKeyPAKHFUVJEOFQGJ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.66
Rot. Bonds4

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

(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75474993) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75474993
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(O)c(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H19N3O5/c1-26-14-7-8-17(24)15(11-14)20(25)23-9-10-27-12-16(23)18-21-19(28-22-18)13-5-3-2-4-6-13/h2-8,11,16,24H,9-10,12H2,1H3
InChIKeyPAKHFUVJEOFQGJ-UHFFFAOYSA-N
XLogP2.66
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345291
morpholin-4-yl-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344845
[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 75474989
(2-ethyl-1,3-thiazol-5-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474979
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
4-hydroxy-6-methyl-1-[2-oxo-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethyl]pyridin-2-one
CID 136521699
[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474998
3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126773272
(3R)-4-(2-methoxyethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344632
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75474922
(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
(1R)-2-(2-hydroxy-5-methoxybenzoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 97314606

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75474993) is (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is COc1ccc(O)c(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is PAKHFUVJEOFQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-14-7-8-17(24)15(11-14)20(25)23-9-10-27-12-16(23)18-21-19(28-22-18)13-5-3-2-4-6-13/h2-8,11,16,24H,9-10,12H2,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 381.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75474993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).