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

C18H20F3N3O3 — CID 42768797

IUPACN-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3N3O3/c1-4-11(2)24(10-16(25)22-15-9-12(3)27-23-15)17(26)13-5-7-14(8-6-13)18(19,20)21/h5-9,11H,4,10H2,1-3H3,(H,22,23,25)
InChIKeyWUHNMSVCPVXBPH-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.88
Rot. Bonds6

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

N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42768797) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID42768797
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC NameN-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3N3O3/c1-4-11(2)24(10-16(25)22-15-9-12(3)27-23-15)17(26)13-5-7-14(8-6-13)18(19,20)21/h5-9,11H,4,10H2,1-3H3,(H,22,23,25)
InChIKeyWUHNMSVCPVXBPH-UHFFFAOYSA-N
XLogP3.88
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768974
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42770329
N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3420321
N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4088042
2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3648005
2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099510
diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium
CID 7396526
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300
2-[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099602
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 42768797) is N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is CCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WUHNMSVCPVXBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-4-11(2)24(10-16(25)22-15-9-12(3)27-23-15)17(26)13-5-7-14(8-6-13)18(19,20)21/h5-9,11H,4,10H2,1-3H3,(H,22,23,25).
What are the key properties of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 383.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42768797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).