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

C25H31N3O2 — CID 24719625

IUPACN-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCCC(C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-6-19(4)28(24(29)21-15-11-8-12-16-21)17-22-23(20-13-9-7-10-14-20)26-30-25(22)27(5)18(2)3/h7-16,18-19H,6,17H2,1-5H3
InChIKeyPLXYXBCPILBUHL-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.63
Rot. Bonds8

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

N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 24719625) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
PubChem CID24719625
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCCC(C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-6-19(4)28(24(29)21-15-11-8-12-16-21)17-22-23(20-13-9-7-10-14-20)26-30-25(22)27(5)18(2)3/h7-16,18-19H,6,17H2,1-5H3
InChIKeyPLXYXBCPILBUHL-UHFFFAOYSA-N
XLogP5.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 46023433
N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide
CID 42841535
3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46023429
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207767
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207768
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]-2-methyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207839
N-[(2S)-butan-2-yl]-3-fluoro-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207888
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-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
CID 24718188
(2S)-1-[3-methylbutyl-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93208074
N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 24719752

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The IUPAC name of N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (CID 24719625) is N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is CCC(C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The InChIKey is PLXYXBCPILBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-6-19(4)28(24(29)21-15-11-8-12-16-21)17-22-23(20-13-9-7-10-14-20)26-30-25(22)27(5)18(2)3/h7-16,18-19H,6,17H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 24719625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).