3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide

C17H20FN3O3 — CID 50805738

IUPAC3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H20FN3O3/c1-12-15(16(20-24-12)13-3-2-4-14(18)11-13)17(22)19-5-6-21-7-9-23-10-8-21/h2-4,11H,5-10H2,1H3,(H,19,22)
InChIKeyJGSTWTCPBACUEC-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.85
Rot. Bonds5

About 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide

3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 50805738) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID50805738
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H20FN3O3/c1-12-15(16(20-24-12)13-3-2-4-14(18)11-13)17(22)19-5-6-21-7-9-23-10-8-21/h2-4,11H,5-10H2,1H3,(H,19,22)
InChIKeyJGSTWTCPBACUEC-UHFFFAOYSA-N
XLogP1.85
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
3-(furan-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 110682399
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 53052780
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805433
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
3-(2,6-dichlorophenyl)-N-[2-[4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4576801

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide (CID 50805738) is 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc(F)c2)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JGSTWTCPBACUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12-15(16(20-24-12)13-3-2-4-14(18)11-13)17(22)19-5-6-21-7-9-23-10-8-21/h2-4,11H,5-10H2,1H3,(H,19,22).
What are the key properties of 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide?
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).