methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate

C17H17F3N2O4 — CID 1197462

IUPACmethyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4/c1-3-7-22(9-14-21-13(10-26-14)16(24)25-2)15(23)11-5-4-6-12(8-11)17(18,19)20/h4-6,8,10H,3,7,9H2,1-2H3
InChIKeyXWPUVNJCCOLAPO-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.53
Rot. Bonds6

About methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 1197462) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID1197462
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Namemethyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4/c1-3-7-22(9-14-21-13(10-26-14)16(24)25-2)15(23)11-5-4-6-12(8-11)17(18,19)20/h4-6,8,10H,3,7,9H2,1-2H3
InChIKeyXWPUVNJCCOLAPO-UHFFFAOYSA-N
XLogP3.53
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3307425
methyl 2-[[3-methoxypropyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 3876938
methyl 2-[[(3-methoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197503
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197455
methyl 2-[[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3671123
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 811008
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate (CID 1197462) is methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)co1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is XWPUVNJCCOLAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-3-7-22(9-14-21-13(10-26-14)16(24)25-2)15(23)11-5-4-6-12(8-11)17(18,19)20/h4-6,8,10H,3,7,9H2,1-2H3.
What are the key properties of methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 370.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 1197462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).