N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

C26H30FN3O4 — CID 93207780

IUPACN-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C26H30FN3O4/c1-4-18(2)30(25(31)20-6-5-7-22(16-20)32-3)17-23-24(19-8-10-21(27)11-9-19)28-34-26(23)29-12-14-33-15-13-29/h5-11,16,18H,4,12-15,17H2,1-3H3/t18-/m0/s1
InChIKeyDBXIRQNGJLREMO-SFHVURJKSA-N
MW467.54 g/mol
LogP4.77
Rot. Bonds8

About N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (PubChem CID 93207780) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
PubChem CID93207780
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC NameN-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C26H30FN3O4/c1-4-18(2)30(25(31)20-6-5-7-22(16-20)32-3)17-23-24(19-8-10-21(27)11-9-19)28-34-26(23)29-12-14-33-15-13-29/h5-11,16,18H,4,12-15,17H2,1-3H3/t18-/m0/s1
InChIKeyDBXIRQNGJLREMO-SFHVURJKSA-N
XLogP4.77
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 24719325
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207768
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207767
N-butan-2-yl-4-methoxy-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 42842164
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93207761
N-[(2R)-butan-2-yl]-4-fluoro-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222594
1-[(2S)-butan-2-yl]-3-(3-chlorophenyl)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]urea
CID 93207896
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 24719720
N-[(2S)-butan-2-yl]-3-fluoro-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207888
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyacetamide
CID 93222250
4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46028515
N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207839

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (CID 93207780) is N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The InChIKey is DBXIRQNGJLREMO-SFHVURJKSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-4-18(2)30(25(31)20-6-5-7-22(16-20)32-3)17-23-24(19-8-10-21(27)11-9-19)28-34-26(23)29-12-14-33-15-13-29/h5-11,16,18H,4,12-15,17H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide has a molecular weight of 467.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 93207780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).