N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide

C19H17F3N2O2 — CID 132915421

IUPACN-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCc1nc2c(NC(=O)CC(C)c3ccc(C(F)(F)F)cc3)cccc2o1
InChIInChI=1S/C19H17F3N2O2/c1-11(13-6-8-14(9-7-13)19(20,21)22)10-17(25)24-15-4-3-5-16-18(15)23-12(2)26-16/h3-9,11H,10H2,1-2H3,(H,24,25)
InChIKeyBYQTWGWKHRGJLN-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.29
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide

N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 132915421) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID132915421
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCc1nc2c(NC(=O)CC(C)c3ccc(C(F)(F)F)cc3)cccc2o1
InChIInChI=1S/C19H17F3N2O2/c1-11(13-6-8-14(9-7-13)19(20,21)22)10-17(25)24-15-4-3-5-16-18(15)23-12(2)26-16/h3-9,11H,10H2,1-2H3,(H,24,25)
InChIKeyBYQTWGWKHRGJLN-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide (CID 132915421) is N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide is Cc1nc2c(NC(=O)CC(C)c3ccc(C(F)(F)F)cc3)cccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BYQTWGWKHRGJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-11(13-6-8-14(9-7-13)19(20,21)22)10-17(25)24-15-4-3-5-16-18(15)23-12(2)26-16/h3-9,11H,10H2,1-2H3,(H,24,25).
What are the key properties of N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide?
N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 362.35 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 132915421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).