(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C14H14BrN3O3 — CID 75470568

IUPAC(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1c(Br)cccc1C(=O)N1CCOCC1c1ncon1
InChIInChI=1S/C14H14BrN3O3/c1-9-10(3-2-4-11(9)15)14(19)18-5-6-20-7-12(18)13-16-8-21-17-13/h2-4,8,12H,5-7H2,1H3
InChIKeyBQBHDCBVWASVJI-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.35
Rot. Bonds2

About (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75470568) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75470568
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1c(Br)cccc1C(=O)N1CCOCC1c1ncon1
InChIInChI=1S/C14H14BrN3O3/c1-9-10(3-2-4-11(9)15)14(19)18-5-6-20-7-12(18)13-16-8-21-17-13/h2-4,8,12H,5-7H2,1H3
InChIKeyBQBHDCBVWASVJI-UHFFFAOYSA-N
XLogP2.35
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97331532
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
(2-cyclopropylquinolin-4-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470596
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470517
[4-(difluoromethylsulfanyl)phenyl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470522
(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 167825982
[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 97341023
2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331565
4-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124885404

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75470568) is (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1c(Br)cccc1C(=O)N1CCOCC1c1ncon1.
What is the InChIKey of (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is BQBHDCBVWASVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-9-10(3-2-4-11(9)15)14(19)18-5-6-20-7-12(18)13-16-8-21-17-13/h2-4,8,12H,5-7H2,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 352.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75470568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).