N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide

C21H17F3N2O4 — CID 46101142

IUPACN-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide
SMILESCOc1ccc(-c2onc3c2CCC3)cc1NC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H17F3N2O4/c1-28-18-9-8-12(19-15-6-3-7-16(15)26-30-19)11-17(18)25-20(27)13-4-2-5-14(10-13)29-21(22,23)24/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,27)
InChIKeyDUGGZTJLEAICSY-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.99
Rot. Bonds5

About N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide

N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 46101142) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide
PubChem CID46101142
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC NameN-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide
SMILESCOc1ccc(-c2onc3c2CCC3)cc1NC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H17F3N2O4/c1-28-18-9-8-12(19-15-6-3-7-16(15)26-30-19)11-17(18)25-20(27)13-4-2-5-14(10-13)29-21(22,23)24/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,27)
InChIKeyDUGGZTJLEAICSY-UHFFFAOYSA-N
XLogP4.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 46101118
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 50779005
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
N-(2,5-dimethoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139561
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide (CID 46101142) is N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide is COc1ccc(-c2onc3c2CCC3)cc1NC(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is DUGGZTJLEAICSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c1-28-18-9-8-12(19-15-6-3-7-16(15)26-30-19)11-17(18)25-20(27)13-4-2-5-14(10-13)29-21(22,23)24/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,27).
What are the key properties of N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide?
N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 418.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-methoxyphenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46101142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).