N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide

C26H31N3O3 — CID 93207839

IUPACN-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1C
InChIInChI=1S/C26H31N3O3/c1-4-20(3)29(25(30)22-13-9-8-10-19(22)2)18-23-24(21-11-6-5-7-12-21)27-32-26(23)28-14-16-31-17-15-28/h5-13,20H,4,14-18H2,1-3H3/t20-/m1/s1
InChIKeyYEDZRWVPYWYGOV-HXUWFJFHSA-N
MW433.55 g/mol
LogP4.93
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide

N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 93207839) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID93207839
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1C
InChIInChI=1S/C26H31N3O3/c1-4-20(3)29(25(30)22-13-9-8-10-19(22)2)18-23-24(21-11-6-5-7-12-21)27-32-26(23)28-14-16-31-17-15-28/h5-13,20H,4,14-18H2,1-3H3/t20-/m1/s1
InChIKeyYEDZRWVPYWYGOV-HXUWFJFHSA-N
XLogP4.93
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-butan-2-yl-2-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023748
N-butan-2-yl-4-methoxy-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 42842164
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
2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 46015009
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93207761
2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46028521
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
CID 93222607
N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
CID 24718188
N-[(2R)-butan-2-yl]-4-fluoro-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222594
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 93207780
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93222599

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide (CID 93207839) is N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide is CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is YEDZRWVPYWYGOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-4-20(3)29(25(30)22-13-9-8-10-19(22)2)18-23-24(21-11-6-5-7-12-21)27-32-26(23)28-14-16-31-17-15-28/h5-13,20H,4,14-18H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide?
N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 93207839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).