(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C17H20FN3O3 — CID 75474850

IUPAC(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC(c3noc(C(C)C)n3)C2)ccc1F
InChIInChI=1S/C17H20FN3O3/c1-10(2)16-19-15(20-24-16)14-9-21(6-7-23-14)17(22)12-4-5-13(18)11(3)8-12/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyCTVBEADWIQMWQK-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.85
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75474850) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75474850
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC(c3noc(C(C)C)n3)C2)ccc1F
InChIInChI=1S/C17H20FN3O3/c1-10(2)16-19-15(20-24-16)14-9-21(6-7-23-14)17(22)12-4-5-13(18)11(3)8-12/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyCTVBEADWIQMWQK-UHFFFAOYSA-N
XLogP2.85
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474844
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
3-(4-methylphenyl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345089
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
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
(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107
[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474800
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
CID 124951632
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 110115591
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3-bromopyrrolidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80677888

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75474850) is (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC(c3noc(C(C)C)n3)C2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is CTVBEADWIQMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10(2)16-19-15(20-24-16)14-9-21(6-7-23-14)17(22)12-4-5-13(18)11(3)8-12/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 333.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75474850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).