2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide

C25H28FN3O3 — CID 46028521

IUPAC2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccccc2F)C(C)C)c1
InChIInChI=1S/C25H28FN3O3/c1-17(2)29(24(30)20-9-4-5-10-22(20)26)16-21-23(19-8-6-7-18(3)15-19)27-32-25(21)28-11-13-31-14-12-28/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyVPDVYBNNRMPBTL-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.68
Rot. Bonds6

About 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide

2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 46028521) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID46028521
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccccc2F)C(C)C)c1
InChIInChI=1S/C25H28FN3O3/c1-17(2)29(24(30)20-9-4-5-10-22(20)26)16-21-23(19-8-6-7-18(3)15-19)27-32-25(21)28-11-13-31-14-12-28/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyVPDVYBNNRMPBTL-UHFFFAOYSA-N
XLogP4.68
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 46015009
4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46028515
N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylbenzamide
CID 46028570
N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207839
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028631
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153638
4-fluoro-N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028479
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
CID 93222607
3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 42844060
N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42844038
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]propanamide
CID 46028630

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide (CID 46028521) is 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide is Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccccc2F)C(C)C)c1.
What is the InChIKey of 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is VPDVYBNNRMPBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-17(2)29(24(30)20-9-4-5-10-22(20)26)16-21-23(19-8-6-7-18(3)15-19)27-32-25(21)28-11-13-31-14-12-28/h4-10,15,17H,11-14,16H2,1-3H3.
What are the key properties of 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 437.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46028521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).