N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide

C20H24F3N3O2 — CID 93158009

IUPACN-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1
InChIInChI=1S/C20H24F3N3O2/c1-3-13(2)24-19(27)17-12-28-18(25-17)11-26(16-8-9-16)10-14-4-6-15(7-5-14)20(21,22)23/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyPNDQVFSLYWIRGH-ZDUSSCGKSA-N
MW395.43 g/mol
LogP4.39
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 93158009) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID93158009
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1
InChIInChI=1S/C20H24F3N3O2/c1-3-13(2)24-19(27)17-12-28-18(25-17)11-26(16-8-9-16)10-14-4-6-15(7-5-14)20(21,22)23/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyPNDQVFSLYWIRGH-ZDUSSCGKSA-N
XLogP4.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834555
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712388
N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654857
N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42834911
N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1197157
[2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 42834561
N-[(2R)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156787
2-[[(4-chlorophenyl)methyl-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42798819
2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712750
N-[(2R)-butan-2-yl]-2-[[(3-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155436
N-butan-2-yl-2-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4665787
N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93097615

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 93158009) is N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide is CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PNDQVFSLYWIRGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-3-13(2)24-19(27)17-12-28-18(25-17)11-26(16-8-9-16)10-14-4-6-15(7-5-14)20(21,22)23/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,24,27)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).