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

C24H26FN3O3 — CID 46015009

IUPAC2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1F
InChIInChI=1S/C24H26FN3O3/c1-17(2)28(23(29)19-10-6-7-11-21(19)25)16-20-22(18-8-4-3-5-9-18)26-31-24(20)27-12-14-30-15-13-27/h3-11,17H,12-16H2,1-2H3
InChIKeyQXOYRHWEFQAUAC-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.37
Rot. Bonds6

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

2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 46015009) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID46015009
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1F
InChIInChI=1S/C24H26FN3O3/c1-17(2)28(23(29)19-10-6-7-11-21(19)25)16-20-22(18-8-4-3-5-9-18)26-31-24(20)27-12-14-30-15-13-27/h3-11,17H,12-16H2,1-2H3
InChIKeyQXOYRHWEFQAUAC-UHFFFAOYSA-N
XLogP4.37
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
4-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]-morpholine
CID 652190
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide
CID 162651388
5-Methyl-3-phenylisoxazol-4-yl 4-benzylpiperazinyl ketone
CID 1358723
5-methyl-N-(2-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2083055
Benzyl-(3-phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-propyl)-amine
CID 128205
5-Methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 21319368
5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1241125
4-Morpholinepropanamine, beta-methyl-N-(3-phenyl-5-isoxazolyl)-
CID 3070623
4-Morpholinepropanamine, alpha-methyl-N-(3-phenyl-5-isoxazolyl)-
CID 3070624
1-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]-4-(2-phenylethyl)piperazine
CID 1247474
(2,6-Dimethylmorpholin-4-yl)(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 2867735

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide (CID 46015009) is 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is QXOYRHWEFQAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-17(2)28(23(29)19-10-6-7-11-21(19)25)16-20-22(18-8-4-3-5-9-18)26-31-24(20)27-12-14-30-15-13-27/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 423.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46015009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).