N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide

C18H18F3N3O4 — CID 42771686

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(CN(CC1CCCO1)C(=O)c1cccc(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C18H18F3N3O4/c19-18(20,21)13-4-1-3-12(9-13)17(26)24(10-14-5-2-7-27-14)11-16(25)22-15-6-8-28-23-15/h1,3-4,6,8-9,14H,2,5,7,10-11H2,(H,22,23,25)
InChIKeyCGWDNKIHIFPRET-UHFFFAOYSA-N
MW397.35 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 42771686) has the molecular formula C18H18F3N3O4 and a molecular weight of 397.35 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID42771686
Molecular FormulaC18H18F3N3O4
Molecular Weight397.35 g/mol
Exact Mass397.12
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(CN(CC1CCCO1)C(=O)c1cccc(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C18H18F3N3O4/c19-18(20,21)13-4-1-3-12(9-13)17(26)24(10-14-5-2-7-27-14)11-16(25)22-15-6-8-28-23-15/h1,3-4,6,8-9,14H,2,5,7,10-11H2,(H,22,23,25)
InChIKeyCGWDNKIHIFPRET-UHFFFAOYSA-N
XLogP2.95
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 5226570
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
CID 4505979
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4163444
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42771678
2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771751
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 7296221
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate
CID 4199477

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 42771686) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(CN(CC1CCCO1)C(=O)c1cccc(C(F)(F)F)c1)Nc1ccon1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is CGWDNKIHIFPRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4/c19-18(20,21)13-4-1-3-12(9-13)17(26)24(10-14-5-2-7-27-14)11-16(25)22-15-6-8-28-23-15/h1,3-4,6,8-9,14H,2,5,7,10-11H2,(H,22,23,25).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 397.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).