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

C18H21F3N4O3 — CID 42770329

IUPACN-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)CN(CCN(C)C)C(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C18H21F3N4O3/c1-12-10-15(23-28-12)22-16(26)11-25(9-8-24(2)3)17(27)13-4-6-14(7-5-13)18(19,20)21/h4-7,10H,8-9,11H2,1-3H3,(H,22,23,26)
InChIKeySYWHEJKPINCVRM-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42770329) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID42770329
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)CN(CCN(C)C)C(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C18H21F3N4O3/c1-12-10-15(23-28-12)22-16(26)11-25(9-8-24(2)3)17(27)13-4-6-14(7-5-13)18(19,20)21/h4-7,10H,8-9,11H2,1-3H3,(H,22,23,26)
InChIKeySYWHEJKPINCVRM-UHFFFAOYSA-N
XLogP2.64
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768974
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797
N-[2-(dimethylamino)ethyl]-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770327
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
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
N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3450802
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
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 814489
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770425

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 42770329) is N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is Cc1cc(NC(=O)CN(CCN(C)C)C(=O)c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SYWHEJKPINCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-12-10-15(23-28-12)22-16(26)11-25(9-8-24(2)3)17(27)13-4-6-14(7-5-13)18(19,20)21/h4-7,10H,8-9,11H2,1-3H3,(H,22,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 398.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42770329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).