2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide

C20H17F3N2O2 — CID 26315578

IUPAC2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C20H17F3N2O2/c1-25(11-12-3-2-4-15(9-12)20(21,22)23)19(26)14-7-8-16-17(10-14)27-18(24-16)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyJAGSNCHURHNHBL-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.00
Rot. Bonds4

About 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide

2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 26315578) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID26315578
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C20H17F3N2O2/c1-25(11-12-3-2-4-15(9-12)20(21,22)23)19(26)14-7-8-16-17(10-14)27-18(24-16)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyJAGSNCHURHNHBL-UHFFFAOYSA-N
XLogP5.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 146085025
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72904518
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 71870115
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46565897
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 155949679
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide (CID 26315578) is 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is JAGSNCHURHNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-25(11-12-3-2-4-15(9-12)20(21,22)23)19(26)14-7-8-16-17(10-14)27-18(24-16)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide?
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 26315578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).