N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C19H17F3N2O2 — CID 46416382

IUPACN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C19H17F3N2O2/c1-11(2)18-24-15-10-14(7-8-16(15)26-18)23-17(25)9-12-3-5-13(6-4-12)19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,23,25)
InChIKeyHEXGPARWZDQLSZ-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.15
Rot. Bonds4

About N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 46416382) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID46416382
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C19H17F3N2O2/c1-11(2)18-24-15-10-14(7-8-16(15)26-18)23-17(25)9-12-3-5-13(6-4-12)19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,23,25)
InChIKeyHEXGPARWZDQLSZ-UHFFFAOYSA-N
XLogP5.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 47026773
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 155945110
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 55620257
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 46416362
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 46416382) is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)c1nc2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HEXGPARWZDQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-11(2)18-24-15-10-14(7-8-16(15)26-18)23-17(25)9-12-3-5-13(6-4-12)19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,23,25).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46416382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).