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

C19H22F3N3O3 — CID 42768974

IUPACN-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H22F3N3O3/c1-12(2)8-9-25(11-17(26)23-16-10-13(3)28-24-16)18(27)14-4-6-15(7-5-14)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,24,26)
InChIKeyHVCDZIDFCGZZFB-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.13
Rot. Bonds7

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

N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42768974) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID42768974
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H22F3N3O3/c1-12(2)8-9-25(11-17(26)23-16-10-13(3)28-24-16)18(27)14-4-6-15(7-5-14)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,24,26)
InChIKeyHVCDZIDFCGZZFB-UHFFFAOYSA-N
XLogP4.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42770329
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769264
4-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7415779
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3463406
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5082068
3-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 42768880

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 42768974) is N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is Cc1cc(NC(=O)CN(CCC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HVCDZIDFCGZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-12(2)8-9-25(11-17(26)23-16-10-13(3)28-24-16)18(27)14-4-6-15(7-5-14)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,24,26).
What are the key properties of N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 397.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42768974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).